SCHEMBL597287

SCHEMBL597287

CCCc1cc(C)cc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.44
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TSHR P16473 1/20 0.38
PTGS2 P35354 2/20 0.36
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
CYP3A4 P08684 1/20 0.36
ABCB1 P08183 1/20 0.36
LPL P06858 1/20 0.36

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
SCHEMBL16962402 0.94 FFAR4 (0.44) FFAR4NOS3NOS1NOS2HTT
SCHEMBL5568680 0.90 FFAR4 (0.40) FFAR4NOS3NOS1NOS2HTT
SCHEMBL7737459 0.88 ALDH1A1 (0.55) FFAR4NOS3NOS1NOS2HTT
SCHEMBL11802721 0.87 FFAR4 (0.41) FFAR4NOS3NOS1NOS2HTT
SCHEMBL16951358 0.85 NPC1 (0.54) FFAR4NOS3NOS1NOS2HTT
SCHEMBL3690305 0.84 ALDH1A1 (0.44) CNR1ALDH1A1TSHRPGK1PGK2
SCHEMBL11793154 0.83 HPGD (0.58) NOS2HTTNPC1HPGDMAPK1
SCHEMBL16955117 0.83 TACR1 (0.39) FFAR4NOS3NOS1NOS2HTT
SCHEMBL13952228 0.83 FFAR4 (0.39) FFAR4NOS3NOS1NOS2HTT
SCHEMBL16956257 0.83 PGK1 (0.39) FFAR4NOS3NOS1NOS2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3915998-B1 APPLICATION OF SALIDROSIDE DERIVATIVE IN SKIN-WHITENING AGENT FOR EXTERNAL USE SHANGHAI CHEERMORE BIOLOGICAL TECH CO LTD (CN) 2023-01-18 EP disclosed
CN-110225820-B Method for manufacturing polymer film laminated substrate and flexible electronic device 东洋纺株式会社 2022-01-28 CN disclosed
CN-107698437-A A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons 朱翠英 2018-02-16 CN disclosed
CN-107698436-A Method for preparing aromatic polycarboxylic acid derivative 朱翠英 2018-02-16 CN disclosed
CN-107698445-A A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons 朱翠英 2018-02-16 CN disclosed
CN-107698438-A A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons 朱翠英 2018-02-16 CN disclosed
EP-2683697-B1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR LUPIN ATLANTIS HOLDINGS SA (CH) 2017-09-06 EP disclosed
CN-103947031-B Organic electrolyte and organic electrolyte secondary battery 吉坤日矿日石能源株式会社 2017-07-11 CN disclosed
CN-104025364-B Organic bath and organic bath accumulator 吉坤日矿日石能源株式会社 2017-03-08 CN disclosed
US-9145522-B2 Enhanced aromatics production by low pressure end point reduction and selective hydrogenation and hydrodealkylation UOP LLC (US) 2015-09-29 US disclosed
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections GILEAD PHARMASSET LLC 2004-10-28 US disclosed
EP-1461041-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES Pharmasset Ltd. (BB) 2004-09-29 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-2003051298-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD. (BB) 2003-06-26 WO disclosed
EP-0233450-B1 LINEAR SALICYLIC ACID COPOLYMERS AND THEIR METAL SALTS, PRODUCTION PROCESS THEREOF, COLOR-DEVELOPING AGENTS COMPRISING METAL-RESINS OF THE COPOLYMERS, AND COLOR-DEVELOPING SHEETS EMPLOYING THE AGENTS MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-03-11 EP disclosed
US-4783521-A Linear salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal-resins of the copolymers MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-11-08 US disclosed
EP-0233450-A2 Linear salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal-resins of the copolymers, and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-08-26 EP disclosed
US-4300007-A Method for preparing C3 -C4 olefins and vinylaromatic compounds POLYAKOV SERGEI A 1981-11-10 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 (3 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 FFAR4 1761/4885NOS3 3411/4885NOS1 3501/4885
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections ENTPD5, DUT, PNP FFAR4 440/4885NOS3 3675/4885NOS1 4155/4885
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 FFAR4 3854/4885NOS3 3808/4885NOS1 3303/4885

“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.