SCHEMBL3665652

SCHEMBL3665652

COC(=O)CCc1ccccc1B(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 1/20 0.50
▸ TSHR P16473 3/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ LMNA P02545 3/20 0.45
▸ CYP4F2 P78329 1/20 0.45
▸ CYP4A11 Q02928 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ CCNC P24863 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ EGFR P00533 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 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
SCHEMBL10438855 0.85 CYP4F2 (0.58) TSHRALDH1A1LMNACYP4F2CYP4A11
SCHEMBL26657679 0.83 CYP4F2 (0.67) LIPGTSHRALDH1A1LMNACYP4F2
SCHEMBL30858776 0.82 KDM4E (0.46) LIPGTSHRALDH1A1LMNACYP4F2
SCHEMBL15270169 0.82 KDM4E (0.46) LIPGTSHRALDH1A1LMNACYP4F2
SCHEMBL29670238 0.80 LIPG (0.55) LIPGSMN1; SMN2
SCHEMBL6682047 0.80 LIPG (0.55) LIPGSMN1; SMN2
SCHEMBL18802064 0.80 CYP4F2 (0.57) TSHRALDH1A1LMNACYP4F2CYP4A11
SCHEMBL8914213 0.79 CYP4F2 (0.51) TSHRALDH1A1LMNACYP4F2CYP4A11
SCHEMBL22954711 0.79 CYP4F2 (0.56) TSHRALDH1A1LMNACYP4F2CYP4A11
SCHEMBL6240139 0.79 KDM4E (0.50) TSHRALDH1A1LMNACYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 — — US disclosed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 — — US disclosed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 — — EP disclosed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 — — WO 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-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 LIPG 1152/4885TSHR 1795/4885ALDH1A1 1743/4885

“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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