SCHEMBL12722992

SCHEMBL12722992

C=C(Cc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.45
CNR2 P34972 1/20 0.44
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
KDM4E B2RXH2 2/20 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
SCHEMBL163962 0.85 MAOA (0.50) MAOAMAOBL3MBTL1
SCHEMBL28910971 0.82 SRD5A2 (0.52) ALDH1A1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL14042627 0.82 FNTA (0.53) L3MBTL1
SCHEMBL20716178 0.81 KMT2A (0.50) ALDH1A1MAOAMAOBSMN1; SMN2L3MBTL1
SCHEMBL27851118 0.81 MAPT (0.46) MAOAMAOBRAB9ANPC1
SCHEMBL10609924 0.80 MAOB (0.48) MAOAMAOBSMN1; SMN2L3MBTL1RAB9A
SCHEMBL28551034 0.80 L3MBTL1 (0.47) ALDH1A1SMN1; SMN2L3MBTL1CNR2
SCHEMBL28552018 0.80 L3MBTL1 (0.61) MAOAMAOBL3MBTL1RAB9ANPC1
SCHEMBL28555686 0.80 KMT2A (0.50) ALDH1A1SMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL28552020 0.79 GPR52 (0.47) MAOAMAOBSMN1; SMN2RAB9ANPC1

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
CN-111978216-B Preparation method of beta-carbonyl sulfone compound 西南医科大学 2023-02-03 CN disclosed
CN-111978216-A Preparation method of beta-carbonyl sulfone compound 西南医科大学 2020-11-24 CN disclosed
US-7932403-B2 Process for preparing pyrrole derivatives and intermediates RATIOPHARM GMBH (DE) 2011-04-26 US disclosed
US-20090012312-A1 Process for Preparing Pyrrole Derivatives and Intermediates RATIOPHARM GMBH (DE) 2009-01-08 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-20090012312-A1 Process for Preparing Pyrrole Derivatives and Intermediates DHCR7, DHPS, CYP46A1 ALDH1A1 651/4885MAOA 1921/4885MAOB 1927/4885

“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.