SCHEMBL29293713

SCHEMBL29293713

Bc1cc(Nc2ccc(C(C)(C)C)cc2)c(Cl)c(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.34
▸ AKR1C2 P52895 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SLC2A1 P11166 1/20 0.33
▸ CNR1 P21554 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ MCL1 Q07820 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL23589607 0.88 AKR1C3 (0.36) AKR1C3AKR1C2NPC1RAB9ASMN1; SMN2
SCHEMBL29292631 0.85 SLC2A1 (0.36) AKR1C3AKR1C2NPC1RAB9ASMN1; SMN2
SCHEMBL29292642 0.83 CNR1 (0.38) AKR1C3AKR1C2NPC1RAB9ASMN1; SMN2
SCHEMBL27290159 0.81 CNR1 (0.39) AKR1C3AKR1C2NPC1RAB9ASMN1; SMN2
SCHEMBL27277100 0.80 RAB9A (0.35) AKR1C3AKR1C2NPC1RAB9ASMN1; SMN2
SCHEMBL23589543 0.78 AKR1C3 (0.33) AKR1C3AKR1C2NPC1RAB9ASMN1; SMN2
SCHEMBL27290069 0.77 TSHR (0.33) AKR1C3AKR1C2NPC1RAB9ASLC2A1
SCHEMBL29292671 0.75 CNR1 (0.32) AKR1C3AKR1C2CNR1
SCHEMBL25127074 0.74 AKR1C3 (0.30) AKR1C3AKR1C2
SCHEMBL25128679 0.73 CYP26A1 (0.34) MEN1KMT2AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228514-A1 BORON-CONTAINING ORGANIC COMPOUND AND APPLICATIONS THEREOF SHENZHEN CHINA STAR OPTOELECTRONICS SEMICONDUCTOR DISPLAY TECHNOLOGY CO., LTD. (CN) 2024-07-11 — — US 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-20240228514-A1 BORON-CONTAINING ORGANIC COMPOUND AND APPLICATIONS THEREOF BCL6, SLCO4C1, SLCO2B1 AKR1C3 1136/4885AKR1C2 1089/4885NPC1 1381/4885

“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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