SCHEMBL2455458

SCHEMBL2455458

CCOC[CH]Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
TP53 P04637 1/20 0.41
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ARG2 P78540 1/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH7 P40394 1/20 0.33
RELA Q04206 1/20 0.33
CALM1 P0DP23 1/20 0.33
KCNH2 Q12809 2/20 0.33

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
SCHEMBL4069935 0.81 TSHR (0.58) MAOBTSHRCA1CA2
SCHEMBL5598625 0.80 RAB9A (0.40) TP53TSHRALDH1A1RAB9ASMN1; SMN2
SCHEMBL6079570 0.79 ALDH1A1 (0.53) MAOBTP53TSHRALDH1A1CA1
SCHEMBL854566 0.78 MAOB (0.48) MAOBTP53TSHRALDH1A1CA1
SCHEMBL16020622 0.78 ALDH1A1 (0.43) TP53TSHRALDH1A1SMN1; SMN2KCNH2
Phenylacetaldehyde SCHEMBL2322701 0.77 MAOB (0.46) MAOBTP53TSHRALDH1A1CA1
SCHEMBL20572728 0.76 MAOB (0.41) MAOBTSHRALDH1A1CA1CA2
Allylbenzene SCHEMBL253102 0.75 ALDH1A1 (0.48) MAOBTP53TSHRALDH1A1RAB9A
SCHEMBL185486 0.75 MAOB (0.55) MAOBTP53TSHRALDH1A1CA1
SCHEMBL13724166 0.75 MAOB (0.40) MAOBTSHRALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155689-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP claimed
WO-2008145681-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 WO claimed
EP-3983408-A1 PHENETHYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS WITH AN N-1 BRANCHED GROUP 3M Innovative Properties Company (US) 2022-04-20 EP disclosed
WO-2020250089-A1 PHENETHYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS WITH AN N-1 BRANCHED GROUP 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-12-17 WO disclosed
US-8765807-B2 Esters of capsaicin for treating pain TRINITY LABORATORIES, INC. (US) 2014-07-01 US disclosed
US-20110218180-A1 Esters of Capsaicin for Treating Pain Trinity Laboratiories, Inc. (US) 2011-09-08 US disclosed
EP-2155689-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP disclosed
WO-2008145681-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 WO disclosed
US-5580410-A Pre-conditioning a substrate for accelerated dispersed dye sublimation printing DELTA TECHNOLOGY, INC. (US) 1996-12-03 US disclosed
WO-1996018509-A1 PRE-CONDITIONING A SUBSTRATE FOR ACCELERATED DISPERSED DYE SUBLIMATION DELTA TECHNOLOGY, INC. (US) 1996-06-20 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 (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-20110218180-A1 Esters of Capsaicin for Treating Pain FAAH, APEH, FFAR1 MAOB 366/4885TP53 4589/4885TSHR 4707/4885

“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.