SCHEMBL18663272

SCHEMBL18663272

CCCCCCC1=C(c2ccc(OC)cc2)c2c(ccc(CC)c2CC)C1(OC(=O)O)OC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR1 P21462 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CCNB2 O95067 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ RARB P10826 3/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ ALOX5 P09917 1/20 0.32

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
SCHEMBL19690632 0.87 FPR1 (0.35) FPR1TSHRALDH1A1CCNB2CDK1
SCHEMBL18663413 0.81 TSHR (0.34) TSHRALDH1A1MEN1KMT2APPARA
SCHEMBL18663285 0.65 CCNC (0.32) ALDH1A1HPGDPPARA
SCHEMBL18663249 0.65 PPARA (0.37) TSHRALDH1A1PPARA
SCHEMBL18663343 0.65 MMP2 (0.38) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL19690634 0.63 ALDH1A1 (0.46) ALDH1A1HPGDMEN1KMT2APPARA
SCHEMBL27957997 0.62 CASP3 (0.39) TSHRALDH1A1CCNB2CDK1CCNB1
SCHEMBL18663279 0.62 PDE3B (0.33) ALDH1A1MEN1KMT2APTGS2
SCHEMBL9724814 0.60 CASP3 (0.65) TSHRALDH1A1MEN1KMT2ACASP3
P-Anisic Acid SCHEMBL29985723 0.60 CA1 (0.74) TSHRRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170088642-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST CONTAINING CATALYST COMPONENT AND USE THEREOF BEIJING LIHE TECH LTD (CN) 2017-03-30 — — US claimed
US-20170088642-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST CONTAINING CATALYST COMPONENT AND USE THEREOF BEIJING LIHE TECH LTD (CN) 2017-03-30 — — 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 (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-20170088642-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST CONTAINING CATALYST COMPONENT AND USE THEREOF TEC, DGAT2, MOGAT2 FPR1 2818/4885TSHR 4311/4885ALDH1A1 3281/4885

“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.

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