SCHEMBL599112

SCHEMBL599112

CCc1cc(C)c(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
PGK1 P00558 1/20 0.42
PGK2 P07205 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
NQO1 P15559 1/20 0.35
POR P16435 1/20 0.35
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
CYP1A2 P05177 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20231823 0.90 PGK1 (0.50) NOS3NOS1NOS2PGK1PGK2
SCHEMBL5830801 0.88 NOS3 (0.44) NOS3NOS1NOS2PGK1PGK2
SCHEMBL9770020 0.87 GRIN2D (0.43) NOS3NOS1NOS2PGK1PGK2
SCHEMBL13879978 0.80 NOS3 (0.45) NOS3NOS1NOS2PGK1PGK2
SCHEMBL394845 0.79 PGK1 (0.41) NOS3NOS1NOS2PGK1PGK2
SCHEMBL12700588 0.78 NOS3 (0.39) NOS3NOS1NOS2PGK1PGK2
SCHEMBL5013657 0.78 NOS3 (0.43) NOS3NOS1NOS2PGK1PGK2
SCHEMBL5014656 0.78 NOS3 (0.39) NOS3NOS1NOS2PGK1PGK2
SCHEMBL17244913 0.78 ALDH1A1 (0.39) NOS3NOS1NOS2PGK1PGK2
SCHEMBL13180246 0.78 CD44 (0.42) NOS3NOS1NOS2NPSR1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 205 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108949262-A A kind of diesel energy-saving power type detersive and preparation method thereof 滨州仁泰化工有限公司 2018-12-07 CN claimed
US-9568821-B2 Patterning process SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-02-14 US claimed
US-9507262-B2 Resist top-coat composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-11-29 US claimed
US-20150234278-A1 PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-08-20 US claimed
US-20150234274-A1 RESIST TOP-COAT COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-08-20 US claimed
US-6451937-B1 BY THERMALLY REACTING A FUNCTIONALIZING REAGENT AND THE HYDROCARBON IN THE PRESENCE OF A TRANSITION METAL COORDINATION CATALYST SHELL OIL COMPANY 2002-09-17 US claimed
US-20010039349-A1 Selective, Catalytic, thermal functionalization of secondary or aromatic C-H cyclic hydrocarbon bonds SHELL OIL COMPANY 2001-11-08 US claimed
US-6084109-A GAS PHASE OXIDATION AND DEHYDRATION OF A 1,2,4,5-TETRAALKYL-BENZENE UNDER NORMAL PRESSURE AND HEATING USING A DURABLE, THERMOCONDUCTIVE CATALYST SYSTEM OF A CATALYST SUPPORT OF TUNGSTEN AND/OR SILICON CARBIDE CHINESE PETROLEUM CORP. (TW) 2000-07-04 US claimed
US-12590219-B2 Phenol compound, conductive paste composition, method for producing conductive paste composition, conductive wire, and method for producing conductive wire SHIN-ETSU CHEMICAL CO., LTD. (JP) 2026-03-31 US disclosed
US-12540073-B2 Heterogeneous hydrogen-catalyst solid fuel reaction mixture and reactor BRILLIANT LIGHT POWER, INC. (US) 2026-02-03 US disclosed
EP-4654222-A1 DEEP EUTECTIC LIQUID, BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR PRODUCING BIO-ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-11-26 EP disclosed
US-20250353969-A1 Deep Eutectic Liquid, Bio-Electrode Composition, Bio-Electrode, And Method For Producing Bio-Electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-11-20 US disclosed
US-20250352110-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR PRODUCING BIO-ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-11-20 US disclosed
EP-4651157-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR PRODUCING BIO-ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-11-19 EP disclosed
US-20030176319-A1 For therapy and prophylaxis of human immunodeficiency virus (HIV) and hepatitis B virus (HBV) infections, in human patients or other animal hosts GILEAD PHARMASSET LLC 2003-09-18 US disclosed
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde PHARMASSET, INC. 2003-08-28 US disclosed
WO-2003063771-A2 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET LTD. (BB) 2003-08-07 WO disclosed
WO-2003051306-A2 N4-ACYLCYTOSINE-1,3-DIOXOLANE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET LTD. (BB) 2003-06-26 WO disclosed
WO-2003051298-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD. (BB) 2003-06-26 WO disclosed
US-6084109-A GAS PHASE OXIDATION AND DEHYDRATION OF A 1,2,4,5-TETRAALKYL-BENZENE UNDER NORMAL PRESSURE AND HEATING USING A DURABLE, THERMOCONDUCTIVE CATALYST SYSTEM OF A CATALYST SUPPORT OF TUNGSTEN AND/OR SILICON CARBIDE CHINESE PETROLEUM CORP. (TW) 2000-07-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030176319-A1 For therapy and prophylaxis of human immunodeficiency virus (HIV) and hepatitis B virus (HBV) infections, in human patients or other animal hosts ENTPD5, CDA, ADA NOS3 3411/4885NOS1 3501/4885NOS2 4186/4885
US-12540073-B2 Heterogeneous hydrogen-catalyst solid fuel reaction mixture and reactor SCO2, SOD1, HAO2 NOS3 99/4885NOS1 374/4885NOS2 54/4885
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde DERA, DPYD, DHPS NOS3 3808/4885NOS1 3303/4885NOS2 3692/4885
US-20010039349-A1 Selective, Catalytic, thermal functionalization of secondary or aromatic C-H cyclic hydrocarbon bonds AHR, PAH, HRH3 NOS3 3294/4885NOS1 3608/4885NOS2 2776/4885
US-12590219-B2 Phenol compound, conductive paste composition, method for producing conductive paste composition, conductive wire, and method for producing conductive wire PYCARD, NPR1, TNNC1 NOS3 545/4885NOS1 207/4885NOS2 641/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.