SCHEMBL18474236

SCHEMBL18474236

CC1(C)OCc2ccc(F)cc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.45
KMT2A Q03164 1/20 0.38
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
KDM1A O60341 2/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PDE3A Q14432 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
SCHEMBL17193999 0.86 PGR (0.44) PGRCA1CA2PDE3A
SCHEMBL17193998 0.81 SLC5A1 (0.37) PGRKMT2ASLC5A1SLC5A2KDM1A
SCHEMBL18469490 0.78 KMT2A (0.34) PGRKMT2ASLC5A1SLC5A2KDM1A
SCHEMBL18474170 0.78 KMT2A (0.34) PGRKMT2ASLC5A1SLC5A2KDM1A
SCHEMBL16172610 0.78 SLC5A1 (0.34) PGRKMT2ASLC5A1SLC5A2
SCHEMBL23463196 0.76 PGR (0.33) PGR
SCHEMBL30648842 0.76 KDM1A (0.36) PGRKDM1A
SCHEMBL309789 0.76 KDM1A (0.36) PGRKDM1A
SCHEMBL30648685 0.76 CA9 (0.38) PGRKMT2ACA1CA2
SCHEMBL9727613 0.76 OPRM1 (0.41)

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-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-9737533-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals. Inc. (US) 2017-08-22 US disclosed
EP-3133071-A1 C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF Shanghai De Novo Pharmatech Co Ltd. (CN) 2017-02-22 EP disclosed
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) 2017-02-09 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 (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-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SLC5A2, SLC5A1, MGAT1 PGR 3361/4885KMT2A 873/4885SLC5A1 2/4885
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders GRM2, GRM1, GRIN2C PGR 1014/4885KMT2A 988/4885SLC5A1 1151/4885

“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.