SCHEMBL13632103

SCHEMBL13632103

CN(C)Cc1cc(-c2ccco2)cc(C(=O)c2cc(O)c(O)c(O)c2)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.56
ERN1 O75460 4/20 0.40
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KEAP1 Q14145 1/20 0.36
TSHR P16473 1/20 0.35
KAT6A Q92794 4/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35

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
SCHEMBL1307694 0.85 TUBB4A (0.53) PTPN1ERN1ALDH1A1CYP2C9HSD17B10
SCHEMBL13632014 0.82 TUBB4A (0.46) PTPN1ERN1TAAR1ALDH1A1TUBB4A
SCHEMBL1306882 0.77 TUBB4A (0.48) PTPN1ERN1ALDH1A1CYP2C9TUBB4A
SCHEMBL13632046 0.73 PTPN1 (0.47) PTPN1ERN1TAAR1ALDH1A1HDAC1
SCHEMBL13631988 0.71 TUBB4A (0.60) ERN1ALDH1A1CYP2C9HSD17B10TUBB4A
SCHEMBL1306366 0.70 TUBB4A (0.56) ALDH1A1CYP2C9HSD17B10TUBB4ATUBB
SCHEMBL1308350 0.70 TUBB4A (0.52) PTPN1ERN1ALDH1A1CYP2C9HSD17B10
SCHEMBL13632012 0.70 TUBB4A (0.48) PTPN1ERN1ALDH1A1CYP2C9TUBB4A
SCHEMBL13632020 0.69 PTPN1 (0.46) PTPN1ERN1ALDH1A1HDAC1KEAP1
SCHEMBL13632067 0.68 TUBB4A (0.51) PTPN1ERN1ALDH1A1CYP2C9HSD17B10

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-20090275575-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2009-11-05 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-20090275575-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE TUBB1, TUBA1C, TUBB6 PTPN1 2954/4885ERN1 2333/4885TAAR1 4409/4885

“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.