SCHEMBL329513

SCHEMBL329513

C[CH]c1ccc(CCCC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
CA1 P00915 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
PLK1 P53350 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 2/20 0.48
THRA P10827 2/20 0.47
THRB P10828 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47

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
SCHEMBL1609473 0.93 ESR1 (0.55) CA2ALDH1A1HSD17B10THRATHRB
SCHEMBL9753197 0.91 ESR1 (0.59) ALDH1A1HSD17B10THRATHRBESR1
SCHEMBL1611470 0.91 ESR1 (0.59) ALDH1A1HSD17B10THRATHRBESR1
SCHEMBL2915274 0.91 ESR1 (0.59) ALDH1A1HSD17B10THRATHRBESR1
SCHEMBL677468 0.91 ESR1 (0.59) ALDH1A1HSD17B10THRATHRBESR1
SCHEMBL7530228 0.91 ESR1 (0.59) ALDH1A1HSD17B10THRATHRBESR1
SCHEMBL698307 0.91 ESR1 (0.59) ALDH1A1HSD17B10THRATHRBESR1
SCHEMBL1610537 0.86 LPL (0.46) CA2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17160023 0.84 SPHK1 (0.50) CA2CA1GRIN2DGRIN3BGRIN1
SCHEMBL5426214 0.84 CA2 (0.52) CA2CA1GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858802-B2 Method of preparing ionic liquids BASF SE (DE) 2010-12-28 US claimed
US-20240240095-A1 NEW COMPOSITIONS FOR REDUCING CRYSTALLIZATION OF PARAFFIN CRYSTALS IN FUELS BASF SE (DE) 2024-07-18 US disclosed
WO-2024149635-A1 BRANCHED AMINES AS ADDITIVES FOR GASOLINE FUELS BASF SE (DE) 2024-07-18 WO disclosed
US-20240217923-A1 A DIISOCYANATE STABILIZER, USE THEREOF, AND DIISOCYANATE COMPOSITION BASF (CHINA) COMPANY LIMITED (CN) 2024-07-04 US disclosed
CN-118251435-A Preparation and use of polyisocyanates containing iminooxadiazinedione groups 巴斯夫欧洲公司 2024-06-25 CN disclosed
EP-4382588-A1 ADDITIVES FOR IMPROVING THERMAL STABILITY OF FUELS BASF SE (DE) 2024-06-12 EP disclosed
CN-118119689-A Reduction of asphaltenes from marine fuels 巴斯夫欧洲公司 2024-05-31 CN disclosed
CN-118119688-A Reduction of asphaltenes from marine fuels 巴斯夫欧洲公司 2024-05-31 CN disclosed
CN-112673012-B Multifunctional bisacylphosphine oxide photoinitiator 意大利艾坚蒙树脂有限公司 2024-05-24 CN disclosed
EP-4355845-A1 NEW GASOLINE ADDITIVE PACKAGES BASF SE (DE) 2024-04-24 EP disclosed
WO-2003068783-A1 ALKOXYLATED ACYL- AND BISACYLPHOSPHINE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2003-08-21 WO disclosed
US-20030134221-A1 Positive resist composition FUJI PHOTO FILM CO., LTD. 2003-07-17 US disclosed
US-20030108811-A1 Positive resist composition FUJI PHOTO FILM CO., LTD. 2003-06-12 US disclosed
WO-2003035596-A2 INHIBITOR MIXTURE FOR (METH)ACRYLIC ACID AND (METH)ACRYLIC ACID ESTER BASF AKTIENGESELLSCHAFT (DE) 2003-05-01 WO disclosed
WO-2002074718-A2 IONIC LIQUIDS AS SELECTIVE ADDITIVES FOR THE SEPARATION OF CLOSE-BOILING OR AZEOTROPIC MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2002-09-26 WO disclosed
US-20020012866-A1 Positive photoresist composition FUJIFILM CORPORATION (JP) 2002-01-31 US disclosed
EP-0413657-B1 Mono- and diacyl phosphine oxides CIBA GEIGY AG (CH) 1996-12-27 EP disclosed
EP-0736540-A2 Mono- and diacylphosphine oxides CIBA-GEIGY AG (CH) 1996-10-09 EP disclosed
US-5218009-A Photoinitiators for the photopolymerization of ethylenically unsaturated compounds CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
EP-0413657-A2 Mono- and diacyl phosphine oxides CIBA-GEIGY AG (CH) 1991-02-20 EP 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 (1 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-20240217923-A1 A DIISOCYANATE STABILIZER, USE THEREOF, AND DIISOCYANATE COMPOSITION TST, DDT, PAH CA2 1313/4885CA1 2658/4885GRIN2D 4864/4885

“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.