Sugi Predict

Sugi Predict / Compounds / SCHEMBL21701157

SCHEMBL21701157

SCHEMBL21701157

CC(=O)OC(/C=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.43
▸ BRD4 O60885 1/20 0.41
▸ MAOB P27338 5/20 0.40
▸ MAOA P21397 2/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HDAC4 P56524 3/20 0.39
▸ HDAC7 Q8WUI4 3/20 0.39
▸ HDAC5 Q9UQL6 3/20 0.39
▸ HDAC2 Q92769 3/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC9 Q9UKV0 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL23873712 0.94 MAOA (0.48) CYP1A2BRD4MAOBMAOAKDM4E
SCHEMBL27100252 0.86 CYP3A4 (0.46) MAOBMAOAKDM4EMAPK1NPC1
SCHEMBL9998308 0.83 CYP1A2 (0.48) CYP1A2MAOBMAOAPTGS2KDM4E
SCHEMBL9998306 0.83 CYP1A2 (0.48) CYP1A2MAOBMAOAPTGS2KDM4E
SCHEMBL21701145 0.83 CYP3A4 (0.51) MAOBKDM4EHDAC4HDAC7HDAC5
SCHEMBL3856527 0.81 CYP1A2 (0.53) CYP1A2HDAC4HDAC7HDAC5HDAC2
SCHEMBL1941434 0.81 CYP1A2 (0.53) CYP1A2HDAC4HDAC7HDAC5HDAC2
SCHEMBL1941433 0.81 CYP1A2 (0.53) CYP1A2HDAC4HDAC7HDAC5HDAC2
SCHEMBL13595997 0.80 NPC1 (0.47) PTGS2NPC1ALDH1A1LMNARAB9A
SCHEMBL9998024 0.76 KDM4E (0.54) PTGS2KDM4EMAPK1NPC1ALDH1A1

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
US-11912704-B2 Methods and compositions for substituted arylcycloheptane analogs UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2024-02-27 — — US disclosed
US-11912704-B2 Methods and compositions for substituted arylcycloheptane analogs UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2024-02-27 — — US disclosed
US-20210300928-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2021-09-30 — — US disclosed
WO-2020033567-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2020-02-13 — — WO 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 (2 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-20210300928-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS AHR, HCCS, HMBS CYP1A2 25/4885BRD4 3150/4885MAOB 135/4885
US-11912704-B2 Methods and compositions for substituted arylcycloheptane analogs AHR, HCCS, HMBS CYP1A2 25/4885BRD4 3150/4885MAOB 135/4885

“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.