SCHEMBL4649906

SCHEMBL4649906

CC(C)Oc1ccc(Br)c(C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.71
KMT2A Q03164 1/20 0.55
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
HPGD P15428 1/20 0.44
PARP10 Q53GL7 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
MCL1 Q07820 2/20 0.43
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GLA P06280 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KDM4C Q9H3R0 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
SCHEMBL6744558 0.87 ALDH1A1 (0.58) ALDH1A1KMT2AHPGDPARP10POLB
SCHEMBL1998149 0.86 ALDH1A1 (0.53) ALDH1A1KMT2ALCKFYNHPGD
SCHEMBL711082 0.84 ALDH1A1 (0.73) ALDH1A1KMT2AHPGDPARP10RXRA
SCHEMBL31412888 0.83 ALDH1A1 (0.50) ALDH1A1KMT2ALCKFYNHPGD
SCHEMBL4081642 0.83 ALDH1A1 (1.00) ALDH1A1KMT2APARP10RXRARXRB
SCHEMBL31485885 0.82 TAS2R14 (0.49) ALDH1A1KMT2ALCKFYNHPGD
SCHEMBL227238 0.81 SMN1; SMN2 (0.59) ALDH1A1KMT2ALCKFYNHPGD
SCHEMBL29053386 0.80 ALDH1A1 (0.46) ALDH1A1KMT2ALCKFYNHPGD
SCHEMBL1316975 0.80 ALDH1A1 (0.73) ALDH1A1KMT2AHPGDMCL1HSD17B10
SCHEMBL28365983 0.80 ALDH1A1 (0.73) ALDH1A1KMT2AHPGDPARP10RXRA

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
WO-2023160004-A1 FUSED-RING COMPOUND HAVING ANALGESIC ACTIVITY, AND PREPARATION METHOD THEREFOR AND USE THEREOF 南京知和医药科技有限公司 2023-08-31 WO disclosed
EP-1701933-B1 NOVEL COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-03 EP disclosed
US-20070043113-A1 Novel compounds TANABE SEIYAKU CO., LTD. (JP) 2007-02-22 US disclosed
CN-1898197-A Novel compound TANABE SEIYAKU CO (JP) 2007-01-17 CN 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-20070043113-A1 Novel compounds VCAM1, ICAM1, EPCAM ALDH1A1 2146/4885KMT2A 3401/4885LCK 1655/4885

“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.