SCHEMBL21296987

SCHEMBL21296987

Oc1cccc(-c2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 11/20 0.67
HSD17B2 P37059 10/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2C9 P11712 2/20 0.67
AHR P35869 2/20 0.61
HSD17B10 Q99714 1/20 0.56
ESR2 Q92731 4/20 0.55
ESR1 P03372 4/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2B6 P20813 1/20 0.55
CYP2C19 P33261 1/20 0.55
CYP1B1 Q16678 1/20 0.52
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PIK3CA P42336 1/20 0.48

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
SCHEMBL7898375 0.81 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2C9HSD17B10
SCHEMBL29551999 0.81 HSD17B1 (0.88) HSD17B1HSD17B2CYP3A4CYP2C9HSD17B10
SCHEMBL69369 0.81 HSD17B1 (0.88) HSD17B1HSD17B2CYP3A4CYP2C9HSD17B10
Hydrochloric Acid SCHEMBL2461057 0.80 CA12 (0.59) HSD17B1HSD17B2CYP3A4CYP2C9HSD17B10
SCHEMBL1028579 0.80 HSD17B1 (0.77) HSD17B1HSD17B2CYP3A4CYP2C9ESR2
SCHEMBL6335821 0.79 AHR (0.70) HSD17B1HSD17B2AHRHSD17B10ESR2
SCHEMBL8050006 0.78 HSD17B1 (0.94) HSD17B1HSD17B2CYP3A4CYP2C9HSD17B10
Ammonia Solution, Strong SCHEMBL28150307 0.78 HSD17B1 (0.83) HSD17B1HSD17B2CYP3A4CYP2C9HSD17B10
SCHEMBL29769221 0.78 AHR (1.00) CYP3A4AHRHSD17B10ESR2CYP1B1
SCHEMBL137915 0.78 AHR (1.00) CYP3A4AHRHSD17B10ESR2CYP1B1

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-11389456-B2 Compounds and methods for treating oxalate-related diseases OXALURX, INC. (US) 2022-07-19 US disclosed
US-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. 2020-12-17 US disclosed
WO-2019165159-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. (US) 2019-08-29 WO disclosed
CN-109761757-A A kind of synthetic method of chlorophenesic acid 山东润博生物科技有限公司 2019-05-17 CN 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 (2 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-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES XDH, PNPO, LOX HSD17B1 553/4885HSD17B2 821/4885CYP3A4 2004/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX HSD17B1 553/4885HSD17B2 821/4885CYP3A4 2004/4885

“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.