SCHEMBL4928161

SCHEMBL4928161

CC(C)=CCc1c(NC(=O)OCC(Cl)(Cl)Cl)ccc2c(C)cc(=O)oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.47
▸ ABCB1 P08183 1/20 0.44
▸ PDE4D Q08499 1/20 0.43
▸ MAOB P27338 5/20 0.42
▸ KDM4E B2RXH2 9/20 0.41
▸ HPGD P15428 6/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ HSD17B10 Q99714 5/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 3/20 0.40
▸ GLA P06280 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CASP1 P29466 2/20 0.40
▸ CASP7 P55210 2/20 0.40
▸ MAPK1 P28482 2/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38

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
SCHEMBL14113111 0.90 MAOA (0.48) MAOAMAOBKDM4EHPGDALDH1A1
SCHEMBL4927312 0.72 PDE4D (0.52) MAOAABCB1PDE4DMAOBKDM4E
SCHEMBL4927779 0.65 MAOA (0.42) MAOAMAOBKDM4EHPGDALDH1A1
SCHEMBL20460460 0.65 SMN1; SMN2 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL4919565 0.64 MAOA (0.39) MAOAMAOBKDM4EHPGDALDH1A1
SCHEMBL20460463 0.63 SMN1; SMN2 (0.50) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6901789 0.63 KDM4E (0.74) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11384270 0.62 SRD5A1 (0.67) ABCB1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL6197998 0.62 LMNA (0.49) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16341040 0.61 PDE4D (1.00) MAOAABCB1PDE4DKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 — — US disclosed
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 — — US disclosed
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 — — 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-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) MAOA, MAOB, COMT MAOA 1/4885ABCB1 1330/4885PDE4D 430/4885

“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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