SCHEMBL12110294

SCHEMBL12110294

Cc1ccc(-c2cccc(C3=CC[C@](C)(I)C=C3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.36
DHODH Q02127 1/20 0.33
PTPN5 P54829 1/20 0.31
RARA P10276 2/20 0.31
RARB P10826 2/20 0.31
RARG P13631 2/20 0.31
CXCR3 P49682 1/20 0.30
MPO P05164 1/20 0.30
MEN1 O00255 1/20 0.30
ESR1 P03372 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL14146468 0.90 PGR (0.40) PGRDHODHCXCR3KMT2A
SCHEMBL14668959 0.90 CCR2 (0.32) PGRRARARARBRARGCXCR3
SCHEMBL13821952 0.78
SCHEMBL7077762 0.78
SCHEMBL14146797 0.78 ALDH1A1 (0.33) RARARARBRARGMEN1KMT2A
SCHEMBL14146475 0.75 PGR (0.38) PGR
SCHEMBL14146465 0.75 GABRA1 (0.35)
SCHEMBL14146469 0.73 KMO (0.39) PGR
SCHEMBL14146749 0.72 GABRG2 (0.36) PGRMEN1KMT2A
SCHEMBL14146464 0.71 CYP11B1 (0.39) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130026909-A1 HOST MATERIALS FOR PHOSPHORESCENT OLEDS UNIVERSAL DISPLAY CORPORATION (US) 2013-01-31 US disclosed
US-20120298966-A1 Host materials for oled UNIVERSAL DISPLAY CORPORATION (US) 2012-11-29 US disclosed
US-8062768-B2 Compound comprising phenyl pyridine units GENERAL ELECTRIC COMPANY (US) 2011-11-22 US disclosed
US-8053095-B2 Compound comprising phenyl pyridine units GENERAL ELECTRIC COMPANY (US) 2011-11-08 US disclosed
US-20110121235-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS BOE TECHNOLOGY GROUP CO., LTD. (CN) 2011-05-26 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-20120298966-A1 Host materials for oled OCIAD2, OCIAD1, OSBP2 PGR 1515/4885DHODH 1367/4885PTPN5 3736/4885
US-20130026909-A1 HOST MATERIALS FOR PHOSPHORESCENT OLEDS OSBP2, OCIAD2, OCIAD1 PGR 1196/4885DHODH 1367/4885PTPN5 3181/4885
US-20110121235-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS CRY1, C1S, C3AR1 PGR 785/4885DHODH 3889/4885PTPN5 2923/4885

“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.