SCHEMBL19895409

SCHEMBL19895409

C=C=CC=CCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
FASN P49327 1/20 0.46
FAAH O00519 3/20 0.45
TRPV1 Q8NER1 1/20 0.45
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
TERT O14746 3/20 0.39
MAPT P10636 2/20 0.39
BLM P54132 2/20 0.39
HSD17B10 Q99714 2/20 0.39
FABP4 P15090 2/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL8674143 1.00 TSHR (0.47) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL720874 1.00 TSHR (0.47) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL8676180 1.00 TSHR (0.47) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL25172453 1.00 TSHR (0.47) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL8674147 1.00 TSHR (0.47) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL25182578 1.00 TSHR (0.47) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL8676183 1.00 TSHR (0.47) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL25172397 1.00 TSHR (0.47) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL25182557 0.98 TSHR (0.48) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL8769482 0.91

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023137133-A2 PROCESS FOR THE SELECTIVE CATALYTIC HYDROGENATION OF DIENONES BASF SE (DE) 2023-07-20 WO disclosed
WO-2023085299-A1 CATIONIC LIPID 武田薬品工業株式会社 2023-05-19 WO disclosed
US-RE49036-E1 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2022-04-19 US disclosed
CN-107250091-B Method for synthesizing optically active carbonyl compound 巴斯夫欧洲公司 2021-05-04 CN disclosed
US-10301244-B2 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2019-05-28 US disclosed
US-20180244598-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2018-08-30 US disclosed
US-9975837-B2 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2018-05-22 US disclosed
US-20180134680-A1 METHOD FOR PRODUCING CYCLIC ESTERS BASF SE (DE) 2018-05-17 US disclosed
US-20180057437-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2018-03-01 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 (4 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-20180244598-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS CBR3, CBR1, HRH4 TSHR 188/4885ALDH1A1 653/4885FASN 1423/4885
US-20180134680-A1 METHOD FOR PRODUCING CYCLIC ESTERS OR51E2, HSD17B12, OR10J3 TSHR 4197/4885ALDH1A1 16/4885FASN 105/4885
US-10301244-B2 Method for synthesizing optically active carbonyl compounds CBR3, CBR1, HRH4 TSHR 188/4885ALDH1A1 653/4885FASN 1423/4885
US-20180057437-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS CBR3, CBR1, HRH4 TSHR 188/4885ALDH1A1 653/4885FASN 1423/4885

“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.