SCHEMBL31085247

SCHEMBL31085247

CC(=O)c1cc2c(cc1F)OC(C)(C)O2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
CNR1 P21554 8/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
MAOB P27338 1/20 0.33

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
SCHEMBL26939089 0.85 SCN9A (0.40) TSHRCNR1ALDH1A1HPGDCYP3A4
SCHEMBL31003272 0.80 ALDH1A1 (0.41) TSHRCNR1ALDH1A1HPGDKDM4E
SCHEMBL6773678 0.76 ALDH1A1 (0.51) TSHRALDH1A1HPGDTDP1KDM4E
SCHEMBL21603233 0.76 KDM4E (0.57) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6561685 0.75 TSHR (0.46) TSHRALDH1A1CYP3A4KDM4ESMN1; SMN2
SCHEMBL13390 0.71 TSHR (0.43) TSHRALDH1A1SMN1; SMN2MAOB
SCHEMBL30753199 0.71 TSHR (0.43) TSHRALDH1A1SMN1; SMN2MAOB
SCHEMBL31003132 0.70 ALDH1A1 (0.39) TSHRALDH1A1HPGDCYP3A4TDP1
SCHEMBL31085108 0.68 TSHR (0.54) TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL10576378 0.68 TSHR (0.48) TSHRCNR1ALDH1A1HPGDKDM4E

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-20260125378-A2 Heterocyclic Compounds BEONE MEDICINES I GMBH (CH) 2026-05-07 US disclosed
EP-4658650-A1 HETEROCYCLIC COMPOUNDS Beone Medicines I GmbH (CH) 2025-12-10 EP disclosed
US-20250353846-A1 Heterocyclic Compounds BEONE MEDICINES I GMBH (CH) 2025-11-20 US disclosed
WO-2024160277-A1 HETEROCYCLIC COMPOUNDS BEIGENE, LTD. (KY) 2024-08-08 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 (2 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-20260125378-A2 Heterocyclic Compounds NFATC1, CD4, MALT1 TSHR 362/4885CNR1 200/4885ALDH1A1 2837/4885
US-20250353846-A1 Heterocyclic Compounds NFATC1, CD4, ACIN1 TSHR 3470/4885CNR1 1075/4885ALDH1A1 1006/4885

“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.