SCHEMBL17065147

SCHEMBL17065147

Cc1ccc([O])c(Cl)c1C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PAX8 Q06710 1/20 0.36
CYP3A4 P08684 3/20 0.35
CHRM1 P11229 1/20 0.35
ALOX15 P16050 1/20 0.35
MAOA P21397 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL5961683 0.79 CES1 (0.36)
SCHEMBL6441444 0.77 CYP3A4 (0.41) TDP2NSD2HSP90AA1PAX8CYP3A4
SCHEMBL187040 0.75 TDP2 (0.40) TDP2NSD2HSP90AA1PAX8CYP1A2
SCHEMBL258271 0.72 CYP3A4 (0.39) TDP2NSD2HSP90AA1PAX8CYP3A4
SCHEMBL13905953 0.70 ACHE (0.38) TDP2NSD2HSP90AA1PAX8CYP3A4
SCHEMBL9712600 0.69 ALDH1A1 (0.43) TDP2NSD2HSP90AA1PAX8CYP3A4
SCHEMBL9712590 0.69 AR (0.36) TDP2NSD2HSP90AA1PAX8CYP3A4
SCHEMBL30394748 0.68 NOTUM (0.37) TDP2NSD2HSP90AA1PAX8CYP3A4
SCHEMBL6403160 0.68 CYP3A4 (0.46) CYP3A4ALOX15TSHR
SCHEMBL1157142 0.68 CYP3A4 (0.46) CYP3A4CHRM1ALOX15MAOATBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544131-B2 MCL-1 antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-01-28 US disclosed
US-20190040044-A1 MCL-1 ANTAGONISTS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-02-07 US disclosed
US-10040780-B2 Mcl-1 antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-07 US disclosed
US-20170066747-A1 MCL-1 ANTAGONISTS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-03-09 US disclosed
WO-2015134539-A1 MCL-1 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-09-11 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 (4 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-10544131-B2 MCL-1 antagonists MCL1, BAK1, BCL2L1 TDP2 3844/4885NSD2 195/4885HSP90AA1 1248/4885
US-10040780-B2 Mcl-1 antagonists MCL1, BAK1, BCL3 TDP2 3563/4885NSD2 236/4885HSP90AA1 1298/4885
US-20170066747-A1 MCL-1 ANTAGONISTS MCL1, BAK1, BCL3 TDP2 3563/4885NSD2 236/4885HSP90AA1 1298/4885
US-20190040044-A1 MCL-1 ANTAGONISTS MCL1, BAK1, BCL2L1 TDP2 3844/4885NSD2 195/4885HSP90AA1 1248/4885

“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.