SCHEMBL20021313

SCHEMBL20021313

CC1COc2ccc(C(C)(C)C)cc2O1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
AIMP2 Q13155 2/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
CXCR5 P32302 1/20 0.41
APLNR P35414 1/20 0.41
CCR6 P51684 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.40
TRPV1 Q8NER1 2/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL20021304 0.93 CYP19A1 (0.43) CYP19A1NPC1RAB9AAIMP2MAPT
SCHEMBL23024716 0.82 CYP19A1 (0.46) CYP19A1NPC1RAB9AAIMP2MAPT
SCHEMBL20618592 0.81 MAPT (0.43) CYP19A1NPC1RAB9AAIMP2MAPT
SCHEMBL21101055 0.79 ALDH1A1 (0.47) CYP19A1NPC1RAB9AAIMP2MAPT
SCHEMBL20202149 0.79 CHRNB4 (0.41) CYP19A1NPC1RAB9AAIMP2MAPT
SCHEMBL11783090 0.78 NPC1 (0.42) CYP19A1NPC1RAB9AAIMP2MAPT
SCHEMBL22134628 0.77 CYP19A1 (0.44) CYP19A1NPC1RAB9AAIMP2MAPT
SCHEMBL8344689 0.77 CA2 (0.49) CYP19A1NPC1RAB9AMAPTALDH1A1
SCHEMBL1208766 0.76 NPC1 (0.55) CYP19A1NPC1RAB9AAIMP2MAPT
SCHEMBL14378361 0.76 ALDH1A1 (0.39) CYP19A1NPC1RAB9AAIMP2MAPT

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-11518744-B2 Benzamide compound and preparation method, use, and pharmaceutical composition thereof INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2022-12-06 US disclosed
US-10647678-B2 Quinoline derivatives as inhibitors of heat shock factor 1 pathway activity CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-05-12 US disclosed
US-20180093955-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-04-05 US disclosed
US-20180093955-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-04-05 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 (3 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-20180093955-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY HSF1, HSP90AB1, HSP90AB2P CYP19A1 2468/4885NPC1 2250/4885RAB9A 1649/4885
US-10647678-B2 Quinoline derivatives as inhibitors of heat shock factor 1 pathway activity HSF1, HSP90AB1, HSP90AB2P CYP19A1 2468/4885NPC1 2250/4885RAB9A 1649/4885
US-11518744-B2 Benzamide compound and preparation method, use, and pharmaceutical composition thereof JAK2, STAT3, STAT5A CYP19A1 179/4885NPC1 3001/4885RAB9A 2485/4885

“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.