SCHEMBL21686598

SCHEMBL21686598

COc1ccc(C)cc1-c1ccc(C(=O)O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
HPGD P15428 3/20 0.54
USP2 O75604 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PIN1 Q13526 1/20 0.42
ACHE P22303 1/20 0.41
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
TPMT P51580 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.38

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
SCHEMBL21686585 0.85 HPGD (0.52) KDM4EHPGDUSP2HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL6344995 0.84 HPGD (0.51) KDM4EHPGDUSP2HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL6346260 0.83 ALDH1A1 (0.52) KDM4EHPGDUSP2HSD17B10ALDH1A1
SCHEMBL21686701 0.80 KDM4E (0.49) KDM4EHPGDUSP2HSD17B10CA9
Hydrochloric Acid SCHEMBL6344221 0.79 KDM4E (0.48) KDM4EHPGDUSP2HSD17B10CA9
SCHEMBL6346255 0.72 ALDH1A1 (0.47) KDM4EHPGDUSP2HSD17B10ALDH1A1
SCHEMBL22442401 0.71 CA12 (0.54) CA9CA12CA1CA2CA4
SCHEMBL29784147 0.71 CA12 (0.54) CA9CA12CA1CA2CA4
SCHEMBL3154080 0.71 KDM4E (1.00) KDM4EHPGDUSP2HSD17B10PIN1
SCHEMBL14332793 0.71 KDM4E (0.53) KDM4EHPGDUSP2HSD17B10CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230118233-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-04-20 US disclosed
US-11319302-B2 PRC1 inhibitors and methods of treatment therewith THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-05-03 US disclosed
US-20200039963-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-06 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-11319302-B2 PRC1 inhibitors and methods of treatment therewith BMI1, EZH2, CBX3 KDM4E 154/4885HPGD 3239/4885USP2 574/4885
US-20200039963-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH BMI1, EZH2, CBX3 KDM4E 154/4885HPGD 3239/4885USP2 574/4885
US-20230118233-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH BMI1, EZH2, CBX3 KDM4E 154/4885HPGD 3239/4885USP2 574/4885

“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.