SCHEMBL5796056

SCHEMBL5796056

COc1ccc(C=Cc2ccc(SC)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 1.00
CYP1A1 P04798 11/20 1.00
CYP1B1 Q16678 11/20 1.00
TRPA1 O75762 1/20 0.61
RELA Q04206 1/20 0.61
ESR1 P03372 2/20 0.59
ABL1 P00519 1/20 0.59
TTR P02766 1/20 0.59
ABCB1 P08183 1/20 0.59
ALOX5 P09917 1/20 0.59
BCR P11274 1/20 0.59
CYP19A1 P11511 1/20 0.59
NQO2 P16083 1/20 0.59
PTGS2 P35354 1/20 0.59
TUBB4A P04350 1/20 0.59
TUBB P07437 1/20 0.59
TUBA3C P0DPH7 1/20 0.59
AHR P35869 1/20 0.59
TUBA1B P68363 1/20 0.59
TUBA4A P68366 1/20 0.59

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
SCHEMBL11986269 0.87 CYP1A1 (0.75) CYP1A2CYP1A1CYP1B1CYP3A4KDM4E
SCHEMBL1145983 0.87 CYP1A1 (0.75) CYP1A2CYP1A1CYP1B1CYP3A4KDM4E
SCHEMBL20657982 0.86 CYP1A1 (1.00) CYP1A2CYP1A1CYP1B1ESR1ABL1
Hydrogen Sulfide SCHEMBL17008164 0.84 CYP1A1 (0.72) CYP1A2CYP1A1CYP1B1CYP3A4KDM4E
SCHEMBL27778545 0.84 CYP1A1 (0.72) CYP1A2CYP1A1CYP1B1CYP3A4KDM4E
SCHEMBL8367958 0.84 CYP1A1 (0.71) CYP1A2CYP1A1CYP1B1RELAKDM4E
SCHEMBL13790243 0.84 CYP1A1 (0.71) CYP1A2CYP1A1CYP1B1RELAKDM4E
SCHEMBL7567897 0.84 CYP1A1 (0.71) CYP1A2CYP1A1CYP1B1RELAKDM4E
SCHEMBL13790336 0.84 RELA (0.81) CYP1A2CYP1A1CYP1B1TRPA1RELA
SCHEMBL4881152 0.84 RELA (0.81) CYP1A2CYP1A1CYP1B1TRPA1RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170075219-A1 ONIUM SALT, PHOTOACID GENERATOR, PHOTOSENSITIVE RESIN COMPOSITION, AND METHOD FOR PRODUCING DEVICE TOYO GOSEI CO., LTD. (JP) 2017-03-16 US disclosed
WO-2006029436-A1 COX-II INHIBITOR COMPOUNDS Universität Wien (AT) 2006-03-23 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 (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-20170075219-A1 ONIUM SALT, PHOTOACID GENERATOR, PHOTOSENSITIVE RESIN COMPOSITION, AND METHOD FOR PRODUCING DEVICE ARCN1, ZYX, NPY1R CYP1A2 2890/4885CYP1A1 2686/4885CYP1B1 2911/4885

“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.