SCHEMBL4354377

SCHEMBL4354377

CC1(C)C(Nc2ccc(Br)cc2)=C(C(=O)O)CC(Nc2ccc(Br)cc2)=C1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.39
▸ AKR1C2 P52895 2/20 0.39
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ FPR2 P25090 2/20 0.36
▸ HPGD P15428 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ ACHE P22303 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL1415410 0.78 AKR1C3 (0.45) AKR1C3AKR1C2MEN1KMT2AMAPK1
SCHEMBL3895791 0.68 CASP3 (0.54) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1415795 0.68 ACHE (0.44) AKR1C3AKR1C2MEN1KMT2AMAPK1
SCHEMBL1415514 0.66 AKR1C3 (0.46) AKR1C3AKR1C2MEN1KMT2AHPGD
SCHEMBL1415624 0.63 CASP3 (0.45) AKR1C3AKR1C2MEN1KMT2AMAPK1
SCHEMBL1415827 0.62 AKR1C3 (0.45) AKR1C3AKR1C2MEN1KMT2AKDM1A
SCHEMBL1415497 0.62 DHODH (0.44) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL1416251 0.62 SMN1; SMN2 (0.54) AKR1C3AKR1C2MEN1KMT2AMAPK1
SCHEMBL22075935 0.61 MEN1 (0.62) AKR1C3AKR1C2MEN1KMT2AMAOA
SCHEMBL17629476 0.58 ACHE (0.41) AKR1C3AKR1C2MEN1KMT2AHPGD

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-20090054649-A1 Bridged Organosilane and Production Method Thereof KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2009-02-26 — — 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-20090054649-A1 Bridged Organosilane and Production Method Thereof C5, CCNE1, QSOX1 AKR1C3 785/4885AKR1C2 1511/4885MEN1 12/4885

“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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