SCHEMBL19895403

SCHEMBL19895403

C=CCCC=CCC=CCCCC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
ALDH1A1 P00352 2/20 0.59
TRPV1 Q8NER1 1/20 0.48
PPARG P37231 3/20 0.44
FFAR1 O14842 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
HSPD1 P10809 1/20 0.44
CYP19A1 P11511 1/20 0.44
FABP4 P15090 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL19895429 0.93 TSHR (0.58) TSHRALDH1A1TRPV1PPARGFFAR1
SCHEMBL2634273 0.93 TSHR (0.58) TSHRALDH1A1TRPV1PPARGFFAR1
SCHEMBL1030027 0.93 TSHR (0.68) TSHRALDH1A1TRPV1USP2LMNA
SCHEMBL722024 0.93 TSHR (0.68) TSHRALDH1A1TRPV1USP2LMNA
SCHEMBL722023 0.93 TSHR (0.68) TSHRALDH1A1TRPV1USP2LMNA
SCHEMBL8375537 0.93 TSHR (0.68) TSHRALDH1A1TRPV1USP2LMNA
SCHEMBL1032204 0.93 TSHR (0.68) TSHRALDH1A1TRPV1USP2LMNA
SCHEMBL5084469 0.91 TSHR (0.62) TSHRALDH1A1TRPV1PPARGFFAR1
SCHEMBL19895425 0.91 TSHR (0.62) TSHRALDH1A1TRPV1PPARGFFAR1
SCHEMBL19895420 0.91 TSHR (0.62) TSHRALDH1A1TRPV1PPARGFFAR1

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 653/4885TRPV1 905/4885
US-20180134680-A1 METHOD FOR PRODUCING CYCLIC ESTERS OR51E2, HSD17B12, OR10J3 TSHR 4197/4885ALDH1A1 16/4885TRPV1 222/4885
US-10301244-B2 Method for synthesizing optically active carbonyl compounds CBR3, CBR1, HRH4 TSHR 188/4885ALDH1A1 653/4885TRPV1 905/4885
US-20180057437-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS CBR3, CBR1, HRH4 TSHR 188/4885ALDH1A1 653/4885TRPV1 905/4885

“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.