SCHEMBL3785801

SCHEMBL3785801

O=[C]C=CC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
LMNA P02545 3/20 0.55
RECQL P46063 2/20 0.55
PLIN1 O60240 2/20 0.55
PLIN5 Q00G26 2/20 0.55
ABHD5 Q8WTS1 2/20 0.55
MAOB P27338 2/20 0.55
BCHE P06276 1/20 0.55
TNFRSF1A P19438 1/20 0.55
ACHE P22303 1/20 0.55
CYP1B1 Q16678 1/20 0.55
ALDH1A1 P00352 6/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
RAB9A P51151 3/20 0.50
HPGD P15428 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50

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
SCHEMBL3785797 1.00 MAPT (0.55) MAPTLMNARECQLPLIN1PLIN5
SCHEMBL2954318 0.81 MAPT (0.70) MAPTLMNARECQLPLIN1PLIN5
SCHEMBL2954324 0.81 MAPT (0.70) MAPTLMNARECQLPLIN1PLIN5
SCHEMBL11073619 0.81 MAPT (0.70) MAPTLMNARECQLPLIN1PLIN5
SCHEMBL28515948 0.81 MAPT (0.59) MAPTMAOBCYP1B1ALDH1A1TDP1
SCHEMBL16762593 0.79 ALDH1A1 (0.69) MAPTLMNAMAOBCYP1B1ALDH1A1
SCHEMBL7147542 0.76 ALDH1A1 (0.67) MAPTLMNARECQLPLIN1PLIN5
SCHEMBL7600099 0.75 MAPT (0.61) MAPTLMNARECQLPLIN1PLIN5
SCHEMBL21429061 0.75 MAPT (0.61) MAPTLMNARECQLPLIN1PLIN5
SCHEMBL11883016 0.75 MAPT (0.61) MAPTLMNARECQLPLIN1PLIN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505765-B2 4-alkoxy/aralkoxy-5-substituted-pyrrolopyrimidine compounds as TAK1 inhibitors in disease treatment CONFLUENCE LIFE SCIENCES INC. (US) 2016-11-29 US disclosed
US-20150203499-A1 4-ALKOXY/ARALKOXY-5-SUBSTITUTED-PYRROLOPYRIMIDINE COMPOUNDS AS TAK1 INHIBITORS IN DISEASE TREATMENT ACLARIS THERAPEUTICS, INC. 2015-07-23 US disclosed
WO-2014018888-A1 4-ALKOXY/ARALKOXY-5-SUBSTITUTED-PYRROLOPYRIMIDINE COMPOUNDS AS TAK1 INHIBITORS IN DISEASE TREATMENT CONFLUENCE LIFE SCIENCES INC. (US) 2014-01-30 WO disclosed
US-7858349-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2010-12-28 US disclosed
WO-2010127381-A1 DIAGNOSIS, MONITORING, PROGNOSIS, PREVENTION AND TREATMENT OF ANEURYSMS JAMES COOK UNIVERSITY (AU) 2010-11-11 WO disclosed
US-20090088454-A1 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-04-02 US disclosed
US-7427496-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2008-09-23 US disclosed
US-20060183772-A1 To inhibit tumor growth in an animal; to induce apoptosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-08-17 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 (1 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-20150203499-A1 4-ALKOXY/ARALKOXY-5-SUBSTITUTED-PYRROLOPYRIMIDINE COMPOUNDS AS TAK1 INHIBITORS IN DISEASE TREATMENT MAP3K6, MAP3K20, MAP3K4 MAPT 225/4885LMNA 2687/4885RECQL 1432/4885

“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.