SCHEMBL5374823

SCHEMBL5374823

Oc1ccc(-c2nn(C3CCC3)c(-c3ccc(O)cc3)c2-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.47
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 2/20 0.43
PIM1 P11309 3/20 0.38
PIM2 Q9P1W9 1/20 0.38
KCNJ6 P48051 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
EGFR P00533 1/20 0.38
ITK Q08881 1/20 0.38
ESR2 Q92731 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
PRKCZ Q05513 1/20 0.37
ELANE P08246 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL5215537 0.90 ESR1 (0.44) ESR1MAPTMEN1KMT2AMAPK1
SCHEMBL5213473 0.88 ESR1 (0.46) ESR1MAPTMEN1KMT2AMAPK1
SCHEMBL5213225 0.86 ESR1 (0.49) ESR1EGFRKDM2BMAPKAPK2
SCHEMBL5215880 0.82 ESR1 (0.52) ESR1MAPTMEN1KMT2AESR2
SCHEMBL7830314 0.79 ESR1 (0.45) ESR1MAPTMEN1KMT2AMAPK1
SCHEMBL5219865 0.75 ESR1 (0.46) ESR1MAPTMEN1KMT2AEGFR
SCHEMBL5252401 0.75 ESR1 (0.44) ESR1MAPTMEN1KMT2AMAPK1
SCHEMBL5221565 0.73 ESR1 (0.45) ESR1MAPTKMT2AKDM2B
SCHEMBL5216940 0.73 ESR1 (0.45) ESR1MAPTESR2KDM2BPRKCZ
SCHEMBL5219863 0.72 ESR1 (0.50) ESR1MAPTKMT2AMAPK1EGFR

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-RE39708-E1 Estrogen receptor modulators CHIRON CORPORATION (US) 2007-06-26 US disclosed
US-6727273-B2 THERAPY FOR OSTEOPOROSIS, ANTICANCER AGENTS CHIRON CORPORATION 2004-04-27 US disclosed
US-20040077701-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2004-04-22 US disclosed
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION 2004-02-19 US disclosed
US-20020111374-A1 Estrogen receptor modulators CHIRON CORPORATION 2002-08-15 US disclosed
US-6291505-B1 PYRAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-09-18 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-20040077701-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885MAPT 1269/4885MEN1 1841/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 ESR1 1/4885MAPT 1269/4885MEN1 1841/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885MAPT 1269/4885MEN1 1841/4885

“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.