SCHEMBL4189484

SCHEMBL4189484

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 2/20 0.41
GAA P10253 2/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARG P37231 5/20 0.40
TDP1 Q9NUW8 2/20 0.38
EPHX2 P34913 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
HIF1A Q16665 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38

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) MAPTMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL4186244 0.86 CYP1A2 (0.41) MAPTMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL4168700 0.86 GAA (0.41) MAPTKMT2ACYP1A2GAACYP2C9
SCHEMBL6981729 0.78 L3MBTL1 (0.44) L3MBTL1PPARGTDP1LMNAPPARA
Hydrochloric Acid SCHEMBL10946610 0.76 MAPT (0.46) MAPTMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL3886045 0.76 AKR1C3 (0.47) MAPTCYP1A2GAACYP2C9PKM
SCHEMBL14567547 0.75 TAS1R3 (0.44) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL3887207 0.75 CYP1A2 (0.57) MAPTMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL3573474 0.75 CYP1A2 (0.57) MAPTMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL3885170 0.75 CYP1A2 (0.57) MAPTMEN1KMT2AL3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 4737/4885MEN1 38/4885KMT2A 2414/4885
US-20090069372-A1 ANTITUMOR AGENTS NHERF1, BACH1, MCL1 MAPT 4785/4885MEN1 76/4885KMT2A 2683/4885
US-20070054938-A1 Antitumor agents TP53, NHERF1, MCL1 MAPT 4737/4885MEN1 38/4885KMT2A 2414/4885

“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.