SCHEMBL119153

SCHEMBL119153

C/C(C=O)=C\c1ccc(C(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
TSHR P16473 3/20 0.59
CYP1A2 P05177 1/20 0.53
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TRPV1 Q8NER1 2/20 0.41
LMNA P02545 4/20 0.41
TYR P14679 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41

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
SCHEMBL119154 1.00 ALDH1A1 (0.59) ALDH1A1TSHRCYP1A2NPC1RAB9A
SCHEMBL9815018 0.86 ALDH1A1 (0.57) ALDH1A1TSHRCYP1A2NPC1RAB9A
SCHEMBL9815015 0.86 ALDH1A1 (0.57) ALDH1A1TSHRCYP1A2NPC1RAB9A
SCHEMBL7804952 0.82 ALDH1A1 (0.57) ALDH1A1TSHRCYP1A2HDAC1
SCHEMBL11459683 0.82 ALDH1A1 (0.52) ALDH1A1TSHRCYP1A2NPC1RAB9A
SCHEMBL11464547 0.82 ALDH1A1 (0.67) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL9170656 0.82 ALDH1A1 (0.52) ALDH1A1TSHRCYP1A2TRPV1EPHX2
SCHEMBL11459681 0.82 ALDH1A1 (0.52) ALDH1A1TSHRCYP1A2NPC1RAB9A
SCHEMBL9166600 0.82 ALDH1A1 (0.52) ALDH1A1TSHRCYP1A2TRPV1EPHX2
SCHEMBL11464546 0.82 ALDH1A1 (0.67) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117247977-A Method for synthesizing convaldehyde by enzyme method 四川大学 2023-12-19 CN claimed
CN-1989235-B Composition comprising a metal oxide and a metal oxide GIVAUDAN SA 2012-12-19 CN claimed
US-8163963-B2 Process for continuous hydrogenation or hydrogenating amination BASF SE (DE) 2012-04-24 US claimed
US-20100081804-A1 PROCESS FOR CONTINUOUS HYDROGENATION OR HYDROGENATING AMINATION BASF SE (DE) 2010-04-01 US claimed
EP-1940765-B1 METHOD FOR CONTINUOUS HYDROGENATION OR HYDROGENATING AMINATION BASF SE (DE) 2009-05-13 EP claimed
JP-2009511620-A 2009-03-19 JP claimed
EP-1940765-A1 METHOD FOR CONTINUOUS HYDROGENATION OR HYDROGENATING AMINATION BASF SE (DE) 2008-07-09 EP claimed
CN-1989235-A Composition comprising a metal oxide and a metal oxide GIVAUDAN SA (CH) 2007-06-27 CN claimed
WO-2007045641-A1 METHOD FOR CONTINUOUS HYDROGENATION OR HYDROGENATING AMINATION BASF SE (DE) 2007-04-26 WO claimed
US-20040132807-A1 Aurones as telomerase inhibitors PHARMACIA ITALIA SPA (IT) 2004-07-08 US claimed
EP-1381359-A1 AURONES AS TELOMERASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-21 EP claimed
WO-2002083123-A1 AURONES AS TELOMERASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2002-10-24 WO claimed
CN-117247977-A Method for synthesizing convaldehyde by enzyme method 四川大学 2023-12-19 CN disclosed
CN-117247977-A Method for synthesizing convaldehyde by enzyme method 四川大学 2023-12-19 CN disclosed
US-20230278946-A1 ALPHA, BETA-UNSATURATED ALDEHYDE PRODUCTION METHOD KAO CORPORATION (JP) 2023-09-07 US disclosed
US-20230278946-A1 ALPHA, BETA-UNSATURATED ALDEHYDE PRODUCTION METHOD KAO CORPORATION (JP) 2023-09-07 US disclosed
US-4273945-A HYDROGENATION OF UNSATURATED ALDEHYDES BASF AKTIENGESELLSCHAFT (DE) 1981-06-16 US disclosed
US-4263459-A 3-Methyl-aldehydes, processes for their preparation and their use as odorants HAARMANN & REIMER GMBH (DE) 1981-04-21 US disclosed
US-4241058-A INSECTICIDES, MITICIDES, SYSTEMIC HOFFMANN-LA ROCHE INC. (US) 1980-12-23 US disclosed
EP-0005541-A2 Substituted piperidine, morpholine or piperidone derivatives, fungicides containing these compounds, process for their preparation and their use, and the use of these compounds as fungicides F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-11-28 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 (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-20230278946-A1 ALPHA, BETA-UNSATURATED ALDEHYDE PRODUCTION METHOD ALDH1A1, AOX1, ALDH1B1 ALDH1A1 1/4885TSHR 3377/4885CYP1A2 127/4885
US-20040132807-A1 Aurones as telomerase inhibitors TERT, TERF2, TERF2IP ALDH1A1 1344/4885TSHR 3411/4885CYP1A2 4324/4885
US-20100081804-A1 PROCESS FOR CONTINUOUS HYDROGENATION OR HYDROGENATING AMINATION HRH4, HRH2, HRH3 ALDH1A1 1980/4885TSHR 3908/4885CYP1A2 1770/4885

“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.