SCHEMBL27733385

SCHEMBL27733385

COc1cc(Br)cc(F)c1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
NQO2 P16083 2/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
APLNR P35414 2/20 0.33
APP P05067 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB1 P18505 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
SCHEMBL25197458 0.86 ERN1 (0.41) ERN1ALOX15ALOX12NQO2POLB
SCHEMBL18603256 0.85 ERN1 (0.38) ERN1ALOX15ALOX12NQO2GAA
SCHEMBL1630637 0.85 ERN1 (0.36) ERN1ALOX15ALOX12NQO2POLB
SCHEMBL12986534 0.81 GABRA1 (0.41) APLNRGABRA1GABRB1
SCHEMBL13913528 0.80 PDE3B (0.35) POLBGAAGFERPDE3BPDE3A
SCHEMBL16018034 0.78 TAAR1 (0.41)
SCHEMBL20226996 0.78 ACHE (0.45) ERN1POLBGAAGFERPDE3B
SCHEMBL30842457 0.78 ERN1 (0.37) ERN1ALOX15ALOX12NQO2POLB
SCHEMBL25787070 0.78 NQO2 (0.42) ERN1ALOX15ALOX12NQO2POLB
SCHEMBL20226999 0.77 PDE3B (0.37) POLBGAAGFERPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122029153-A Aromatic hydrocarbon receptor modulator compound, and preparation method and application thereof 德明药泰生物技术(深圳)有限公司 2026-05-12 CN disclosed
WO-2025082312-A1 AROMATIC HYDROCARBON RECEPTOR MODULATOR COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 德明药泰生物技术(深圳)有限公司 2025-04-24 WO disclosed
WO-2025066915-A1 AHR MODULATOR AND USE THEREOF 德明药泰生物技术(深圳)有限公司 2025-04-03 WO disclosed
CN-119707643-A AhR regulator and application thereof 德明药泰生物技术(深圳)有限公司 2025-03-28 CN disclosed
CN-118317952-A Heterocyclic substituted phenol derivatives, process for their preparation and their use 上海泽德曼医药科技有限公司 2024-07-09 CN disclosed
WO-2024078372-A1 HETEROCYCLIC SUBSTITUTED PHENOL DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海泽德曼医药科技有限公司 2024-04-18 WO disclosed
CN-117447402-A Aromatic hydrocarbon receptor modulator compound, and preparation method and application thereof 德明药泰生物技术(深圳)有限公司 2024-01-26 CN disclosed
CN-101180097-A Novel phosphinic acid-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2008-05-14 CN disclosed