SCHEMBL288562

SCHEMBL288562

CCCCC(CC)COC(=O)/C=C/c1cccc(-c2ccccc2)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 6/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 3/20 0.47
CYP3A4 P08684 3/20 0.45
CA2 P00918 1/20 0.45
TSHR P16473 3/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 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
SCHEMBL156437 1.00 TDP1 (0.50) TDP1ALDH1A1LMNAMAPK1CYP3A4
Amiloxate SCHEMBL5827367 0.87 TDP1 (0.59) TDP1ALDH1A1LMNAMAPK1CYP3A4
SCHEMBL31329227 0.85 TDP1 (0.50) TDP1ALDH1A1LMNAMAPK1CYP3A4
SCHEMBL3762224 0.83 TDP1 (0.53) TDP1ALDH1A1LMNAMAPK1CYP3A4
SCHEMBL2692264 0.83 APP (0.45) ALDH1A1LMNATSHRKDM4EHDAC8
SCHEMBL29000086 0.83 TDP1 (0.56) TDP1ALDH1A1LMNAMAPK1CYP3A4
SCHEMBL29000084 0.83 TDP1 (0.56) TDP1ALDH1A1LMNAMAPK1CYP3A4
SCHEMBL39304 0.82 ALDH1A1 (0.48) ALDH1A1LMNACYP3A4CA2KDM4E
SCHEMBL39303 0.82 ALDH1A1 (0.48) ALDH1A1LMNACYP3A4CA2KDM4E
SCHEMBL5494926 0.82 PTGER1 (0.37) ALDH1A1KDM4EHDAC8CTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9011826-B2 Cosmetic and dermatological formulations including isononyl benzoate EVONIK DEGUSSA GMBH (DE) 2015-04-21 US claimed
US-8748347-B2 Method for combating harmful fungi BASF SE (DE) 2014-06-10 US claimed
US-20120083497-A1 Method for Combating Harmful Fungi BASF SE (DE) 2012-04-05 US claimed
WO-2010115721-A2 METHOD FOR REDUCING SUNBURN DAMAGE IN PLANTS BASF SE (DE) 2010-10-14 WO claimed
WO-2010115720-A2 METHOD FOR COMBATING HARMFUL FUNGI BASF SE (DE) 2010-10-14 WO claimed
US-20100068160-A1 COSMETIC AND DERMATOLOGICAL FORMULATIONS INCLUDING PHENOXYALKYL ESTERS EVONIK GOLDSCHMIDT GMBH (DE) 2010-03-18 US claimed
US-20090136437-A1 COSMETIC AND DERMATOLOGICAL FORMULATIONS INCLUDING ISONONYL BENZOATE EVONIK GOLDSCHMIDT GMBH (DE) 2009-05-28 US claimed
US-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives MERCK PATENT GMBH (DE) 2008-07-17 US claimed
US-7258923-B2 Multilayered articles and method of manufacture thereof GENERAL ELECTRIC COMPANY (US) 2007-08-21 US claimed
US-20250375369-A1 COMPOSITIONS COMPRISING SELF TANNING AGENTS AND CERTAIN SPHINGOLIPIDS AND/OR CERTAIN SPHINGOID BASES EVONIK OPERATIONS GMBH (DE) 2025-12-11 US disclosed
US-20250248394-A1 HERBICIDAL EODE FORMULATION COMPRISING SEVERAL ACTIVE INGREDIENTS BASF Agro B.V. (NL) 2025-08-07 US disclosed
EP-4547204-A1 COMPOSITIONS COMPRISING SELF TANNING AGENTS AND CERTAIN SPHINGOLIPIDS AND/OR CERTAIN SPHINGOID BASES Evonik Operations GmbH (DE) 2025-05-07 EP disclosed
CN-119677493-A Compositions comprising a self-tanning agent and certain sphingolipids and/or certain sphingosine bases 赢创运营有限公司 2025-03-21 CN disclosed
WO-2024126115-A1 AGROCHEMICAL FORMULATIONS BASF SE (DE) 2024-06-20 WO disclosed
EP-0908501-B1 Reversible thermochromic composition PILOT INK CO LTD (JP) 2003-07-09 EP disclosed
US-20030121448-A1 Reversible thermochromic composition NEW PRISMATIC ENTERPRISE CO., LTD. (TW) 2003-07-03 US disclosed
US-6572663-B1 Providing aqueous surface-active fatty alcohol dispersion containing fatty alcohol and surfactant, stirring with oil component and hair dye component at temperature of from 18 to 25 degrees C., to form hair dye preparation COGNIS DEUTSCHLAND GMBH & CO. KG (DE) 2003-06-03 US disclosed
US-20010046507-A1 Cosmetic and pharmaceutical oil-in-water emulsions GOLDSCHMIDT AG (DE) 2001-11-29 US disclosed
US-6048387-A SPECIFIED DIAZARHODAMINE LACTONE DERIVATIVE AS AN ELECTRON-DONATING COLOR-DEVELOPING ORGANIC COMPOUND THE PILOT INK CO., LTD. (JP) 2000-04-11 US disclosed
EP-0908501-A1 Reversible thermochromic composition THE PILOT INK CO., LTD. (JP) 1999-04-14 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 (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-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives HPD, HAAO, UGT1A6 TDP1 2793/4885ALDH1A1 314/4885LMNA 565/4885
US-20090136437-A1 COSMETIC AND DERMATOLOGICAL FORMULATIONS INCLUDING ISONONYL BENZOATE C1R, POLR1C, C1S TDP1 314/4885ALDH1A1 510/4885LMNA 1388/4885
US-20250375369-A1 COMPOSITIONS COMPRISING SELF TANNING AGENTS AND CERTAIN SPHINGOLIPIDS AND/OR CERTAIN SPHINGOID BASES DEGS1, UGCG, SMPD1 TDP1 48/4885ALDH1A1 3089/4885LMNA 1320/4885
US-20100068160-A1 COSMETIC AND DERMATOLOGICAL FORMULATIONS INCLUDING PHENOXYALKYL ESTERS CUTA, DECR2, TYR TDP1 3701/4885ALDH1A1 419/4885LMNA 1413/4885
US-20120083497-A1 Method for Combating Harmful Fungi BROX, CRY1, GUSB TDP1 1494/4885ALDH1A1 2453/4885LMNA 2775/4885

“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.