SCHEMBL4186244

SCHEMBL4186244

COc1c(Br)ccc2ccc(Oc3ccc(OC(C)C(=O)O)cc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
PPARG P37231 5/20 0.37
PPARA Q07869 5/20 0.37
POLB P06746 1/20 0.36
APOBEC3A P31941 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
KMT2A Q03164 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
TBXAS1 P24557 2/20 0.35

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
SCHEMBL6968482 0.87 TDP1 (0.48) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL4189484 0.86 MAPT (0.45) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL4168700 0.86 GAA (0.41) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL6981517 0.78 L3MBTL1 (0.44) MAPTL3MBTL1EGLN1
SCHEMBL3886045 0.76 AKR1C3 (0.47) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL14567550 0.75 MAP4K4 (0.39) TDP1MAPTNQO2SMN1; SMN2
SCHEMBL3890768 0.75 CYSLTR2 (0.44) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL29711483 0.75 CYSLTR2 (0.44) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL1957784 0.75 CYSLTR2 (0.44) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL10838810 0.74 CYP1A2 (0.43) CYP1A2GAACYP2C9PKMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183379-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2012-05-22 US claimed
US-20090069372-A1 ANTITUMOR AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 US claimed
US-7470788-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2008-12-30 US claimed
EP-1940794-A2 QUINOLINE DERIVATIVES AND USE AS ANTITUMOR AGENTS WAYNE STATE UNIVERSITY (US) 2008-07-09 EP claimed
WO-2007030780-A2 QUINOLINE DERIVATIVES AND USE AS ANTITUMOR AGENTS WAYNE STATE UNIVERSITY (US) 2007-03-15 WO claimed
US-20070060612-A1 Antitumor agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-03-15 US claimed
US-20070054938-A1 Antitumor agents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-03-08 US claimed
US-8183379-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2012-05-22 US disclosed
US-8183379-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2012-05-22 US disclosed
US-20090069372-A1 ANTITUMOR AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 US disclosed
US-20090069372-A1 ANTITUMOR AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 US disclosed
US-7470788-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2008-12-30 US disclosed
US-7470788-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2008-12-30 US disclosed
EP-1940794-A2 QUINOLINE DERIVATIVES AND USE AS ANTITUMOR AGENTS WAYNE STATE UNIVERSITY (US) 2008-07-09 EP disclosed
WO-2007030780-A2 QUINOLINE DERIVATIVES AND USE AS ANTITUMOR AGENTS WAYNE STATE UNIVERSITY (US) 2007-03-15 WO disclosed
US-20070060612-A1 Antitumor agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-03-15 US disclosed
US-20070060612-A1 Antitumor agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-03-15 US disclosed
US-20070054938-A1 Antitumor agents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-03-08 US disclosed
US-20070054938-A1 Antitumor agents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-03-08 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-20070060612-A1 Antitumor agents TP53, NHERF1, MCL1 CYP1A2 3812/4885GAA 1431/4885CYP2C9 3570/4885
US-20090069372-A1 ANTITUMOR AGENTS NHERF1, BACH1, MCL1 CYP1A2 4137/4885GAA 1461/4885CYP2C9 3860/4885
US-20070054938-A1 Antitumor agents TP53, NHERF1, MCL1 CYP1A2 3812/4885GAA 1431/4885CYP2C9 3570/4885

“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.