SCHEMBL5553236

SCHEMBL5553236

COc1ccccc1Oc1ccc(N)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.50
ALDH1A1 P00352 7/20 0.47
HTT P42858 3/20 0.47
MAPK1 P28482 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 1/20 0.46
NR4A1 P22736 1/20 0.45
ADRA2B P18089 1/20 0.44
PTGS1 P23219 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
USP2 O75604 1/20 0.43

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
SCHEMBL29549546 0.93 ALDH1A1 (0.48) ARALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL5552568 0.87 SMN1; SMN2 (0.47) ARALDH1A1MAPTKDM4ELMNA
SCHEMBL10961583 0.86 IDO1 (0.53) ARALDH1A1HTTMAPK1MAPT
SCHEMBL30473086 0.84 ALDH1A1 (0.56) ALDH1A1HTTL3MBTL1MAPTKDM4E
SCHEMBL4329985 0.84 ALDH1A1 (0.56) ALDH1A1HTTL3MBTL1MAPTKDM4E
SCHEMBL5317178 0.84 ALDH1A1 (0.50) ALDH1A1HTTMAPK1L3MBTL1CA1
SCHEMBL15891088 0.83 ALDH1A1 (0.39) ARALDH1A1MAPTKDM4ELMNA
SCHEMBL245409 0.82 ALDH1A1 (0.57) ALDH1A1HTTMAPK1MAPTKDM4E
SCHEMBL5548927 0.81 MEN1 (0.49) ALDH1A1KDM4EACHE
SCHEMBL22966289 0.81 LMNA (0.42) ARALDH1A1MAPK1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147093-B1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2007-04-11 EP disclosed
US-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents PFIZER INC. 2003-10-02 US disclosed
US-6541481-B2 A quinazoline compound PFIZER INC 2003-04-01 US disclosed
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents KATH JOHN CHARLES (US) 2001-10-25 US disclosed
EP-1147093-A1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2001-10-24 EP disclosed
US-6284764-B1 ANTIPROLIFERATIVE AGENT PFIZER INC. 2001-09-04 US disclosed
WO-2000044728-A1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2000-08-03 WO 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-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 AR 1219/4885ALDH1A1 393/4885HTT 4028/4885
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 AR 1219/4885ALDH1A1 393/4885HTT 4028/4885

“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.