SCHEMBL11652133

SCHEMBL11652133

Clc1ccc(C(Cl)(c2ccccc2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.61
TSHR P16473 3/20 0.50
KIF11 P52732 3/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
CYP1A2 P05177 2/20 0.48
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
BCL2 P10415 1/20 0.42
MIF P14174 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 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
SCHEMBL367665 1.00 CYP19A1 (0.61) CYP19A1TSHRKIF11MAPK1HIF1A
SCHEMBL1224870 1.00 CYP19A1 (0.61) CYP19A1TSHRKIF11MAPK1HIF1A
SCHEMBL7782036 0.89 CYP19A1 (0.65) CYP19A1TSHRMAPK1HIF1AMEN1
Chlorotriphenylmethane SCHEMBL461 0.86 TSHR (0.65) CYP19A1TSHRMAPK1CYP1A2
Chlorotriphenylmethane SCHEMBL16781670 0.86 TSHR (0.65) CYP19A1TSHRMAPK1CYP1A2
SCHEMBL3903209 0.84 TSHR (0.50) CYP19A1TSHRKIF11MAPK1HIF1A
SCHEMBL7646185 0.84 TSHR (0.50) CYP19A1TSHRKIF11MAPK1HIF1A
SCHEMBL9577502 0.84 TSHR (0.74) CYP19A1TSHRKIF11MAPK1HIF1A
Chlorotriphenylmethane SCHEMBL7567317 0.83 TSHR (0.61) CYP19A1TSHRMAPK1CYP1A2
Chlorotriphenylmethane SCHEMBL7246540 0.83 TSHR (0.61) CYP19A1TSHRMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647745-B2 Compound for treating sequelae of ischemic cerebral stroke Wang, Jingyi (CN) 2020-05-12 US disclosed
EP-3130600-B1 A COMPOUND FOR TREATING SEQUELAE OF ISCHEMIC CEREBRAL STROKE WANG JINGYI (CN) 2019-03-27 EP disclosed
US-20190040101-A1 COMPOUND FOR TREATING SEQUELAE OF ISCHEMIC CEREBRAL STROKE WANG, JINGYI (CN) 2019-02-07 US disclosed
US-20170044212-A1 COMPOUND FOR TREATING SEQUELAE OF ISCHEMIC CEREBRAL STROKE WANG JINGYI (CN) 2017-02-16 US disclosed
EP-3130600-A1 A COMPOUND FOR TREATING SEQUELAE OF ISCHEMIC CEREBRAL STROKE Wang, Jingyi (CN) 2017-02-15 EP disclosed
US-4098894-A FUNGICIDES AND BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1978-07-04 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-20170044212-A1 COMPOUND FOR TREATING SEQUELAE OF ISCHEMIC CEREBRAL STROKE CHRNA7, CHRNA4, CHRNA3 CYP19A1 3744/4885TSHR 1040/4885KIF11 2283/4885
US-10647745-B2 Compound for treating sequelae of ischemic cerebral stroke CHRNA7, CHRNA4, CHRNA3 CYP19A1 3744/4885TSHR 1040/4885KIF11 2283/4885
US-20190040101-A1 COMPOUND FOR TREATING SEQUELAE OF ISCHEMIC CEREBRAL STROKE CHRNA7, CHRNA4, CHRNA3 CYP19A1 3744/4885TSHR 1040/4885KIF11 2283/4885

“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.