SCHEMBL3780281

SCHEMBL3780281

COc1ccc(C(=O)O)c(I)c1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.66
TDP1 Q9NUW8 1/20 0.66
ALDH1A1 P00352 2/20 0.47
CDC25B P30305 1/20 0.45
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
APP P05067 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
TPMT P51580 1/20 0.43
CNR2 P34972 1/20 0.43
MYC P01106 1/20 0.42
PPARG P37231 1/20 0.42

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
SCHEMBL4278017 0.98 MAPT (0.64) MAPTTDP1ALDH1A1CDC25BKDM4E
SCHEMBL9349731 0.85 MAPT (0.61) MAPTTDP1ALDH1A1CDC25BKDM4E
SCHEMBL28324244 0.85 MAPT (0.55) MAPTTDP1ALDH1A1CDC25BKDM4E
SCHEMBL3421092 0.84 MAPT (0.50) MAPTTDP1ALDH1A1KDM4EHTT
SCHEMBL102827 0.82 MAPT (0.72) MAPTTDP1ALDH1A1CDC25BKDM4E
SCHEMBL4278020 0.82 MAPT (0.49) MAPTTDP1ALDH1A1CA1CA2
SCHEMBL7467765 0.81 TDP1 (0.47) MAPTTDP1ALDH1A1KDM4EHPGD
Water SCHEMBL9749470 0.81 MAPT (0.70) MAPTTDP1ALDH1A1CDC25BKDM4E
Hydrochloric Acid SCHEMBL5061862 0.81 MAPT (0.70) MAPTTDP1ALDH1A1CDC25BKDM4E
SCHEMBL27341170 0.81 MAPT (0.70) MAPTTDP1ALDH1A1CDC25BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455540-B2 Gossypol and apogossypol derivatives, preparation thereof and uses thereof UNIVERSITE DU MAINE (LE MANS) (FR) 2013-06-04 US disclosed
US-20100331398-A1 DERIVES DU GOSSYPOL ET DE L'APOGOSSYPOL, LEURS PREPARATIONS ET LEURS APPLICTIONS UNIVERSITE DU MAINE (LE MANS) (FR) 2010-12-30 US disclosed
CN-1191249-C Quinoline and quinazoline compound for treating benign prostatic hyperplasia specially PFIZER (US) 2005-03-02 CN disclosed
US-6653302-B2 Benign prostatic hyperplasia PFIZER INC. 2003-11-25 US disclosed
US-20030130259-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2003-07-10 US disclosed
EP-0968208-B1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER LTD (GB) 2003-06-04 EP disclosed
CN-1403453-A Quinoline and quinazoline compound for treating benign prostatic hyperplasia specially PFIZER (US) 2003-03-19 CN disclosed
US-6521629-B2 2-amine substituted quinoline or quinozoline derivatives useful for treating benign prostatic hyperplasia PFIZER INC. 2003-02-18 US disclosed
CN-1093858-C Quinoline and quinazoline compounds for the treatment, in particular for the treatment of benign prostatic hyperplasia PFIZER LTD (US) 2002-11-06 CN disclosed
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2002-04-04 US disclosed
US-6365599-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-04-02 US disclosed
US-6169093-B1 FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER INC. 2001-01-02 US disclosed
CN-1243513-A Quinoline and quinazoline compounds for the treatment, in particular for the treatment of benign prostatic hyperplasia PFIZER LTD (US) 2000-02-02 CN disclosed
EP-0968208-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA Pfizer Limited (GB) 2000-01-05 EP disclosed
WO-1998030560-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BEGNIN PROSTATIC HYPERPLASIA PFIZER LIMITED (GB) 1998-07-16 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 (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-20030130259-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, LPXN MAPT 3009/4885TDP1 1261/4885ALDH1A1 498/4885
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy BPHL, LPXN, NQO2 MAPT 2899/4885TDP1 1352/4885ALDH1A1 420/4885
US-20100331398-A1 DERIVES DU GOSSYPOL ET DE L'APOGOSSYPOL, LEURS PREPARATIONS ET LEURS APPLICTIONS LSS, GRHPR, NR1H3 MAPT 2563/4885TDP1 1282/4885ALDH1A1 2349/4885

“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.