SCHEMBL27200216

SCHEMBL27200216

COc1ccc(C(=O)CCCCCCCCCBr)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.63
WNT3A P56704 3/20 0.63
MAPT P10636 3/20 0.55
TSHR P16473 2/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 3/20 0.53
POLB P06746 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA7 P43166 1/20 0.53
TPMT P51580 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
ACHE P22303 1/20 0.52

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
SCHEMBL5355533 1.00 CTNNB1 (0.63) CTNNB1WNT3AMAPTTSHRCYP1A2
SCHEMBL9119840 0.98 CTNNB1 (0.65) CTNNB1WNT3AMAPTTSHRCYP1A2
SCHEMBL31556194 0.94 CTNNB1 (0.71) CTNNB1WNT3AMAPTTSHRCYP1A2
SCHEMBL31556192 0.92 CTNNB1 (0.73) CTNNB1WNT3AMAPTTSHRCYP1A2
SCHEMBL14483927 0.89 CTNNB1 (0.69) CTNNB1WNT3AMAPTTSHRCYP1A2
SCHEMBL9588048 0.88 THRA (0.66) CTNNB1WNT3ATHRATHRBPDE4B
SCHEMBL7389336 0.87 HTT (0.56) CTNNB1WNT3AMAPTALDH1A1ACHE
SCHEMBL9558246 0.87 HPGD (0.50) CTNNB1WNT3ACYP1A2CYP2C19ALDH1A1
SCHEMBL7393792 0.87 POLB (0.49) CTNNB1WNT3AMAPTALDH1A1POLB
SCHEMBL11612755 0.86 CTNNB1 (0.61) CTNNB1WNT3AMAPTTSHRCYP1A2

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-20240300987-A1 TRAP1 INHIBITOR AND USE THEREOF UNIST (ULSAN NATIONAL INSTITUTE OF SCIENCE AND TECHNOLOGY) (KR) 2024-09-12 US disclosed
EP-4357351-A1 TRAP1 INHIBITOR AND USE THEREOF Smartin Bio Inc. (KR) 2024-04-24 EP disclosed
CN-117769559-A TRAP1 inhibitors and uses thereof 斯玛特恩生物公司 2024-03-26 CN disclosed
WO-2022265178-A1 TRAP1 INHIBITOR AND USE THEREOF 주식회사 스마틴바이오 2022-12-22 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-20240300987-A1 TRAP1 INHIBITOR AND USE THEREOF TRAP1, PPP1R7, PPP1R15A CTNNB1 3668/4885WNT3A 3550/4885MAPT 677/4885

“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.