SCHEMBL14044481

SCHEMBL14044481

CCNCCCCCN(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP2C19 P33261 3/20 0.55
CYP1A2 P05177 1/20 0.55
DNM1 Q05193 4/20 0.52
KDM1A O60341 5/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 1/20 0.50
PAOX Q6QHF9 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 1/20 0.43
CYP2C9 P11712 1/20 0.41
SAT1 P21673 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
SCHEMBL15966144 1.00 TSHR (0.55) TSHRALDH1A1CYP2C19CYP1A2DNM1
SCHEMBL15966140 1.00 TSHR (0.55) TSHRALDH1A1CYP2C19CYP1A2DNM1
SCHEMBL15966125 1.00 TSHR (0.55) TSHRALDH1A1CYP2C19CYP1A2DNM1
SCHEMBL15966128 1.00 TSHR (0.55) TSHRALDH1A1CYP2C19CYP1A2DNM1
SCHEMBL1268558 0.97 CYP2C19 (0.57) TSHRALDH1A1CYP2C19CYP1A2DNM1
SCHEMBL1268746 0.90
Hydrochloric Acid SCHEMBL3184204 0.87 TDP1 (0.56) TSHRALDH1A1CYP2C19CYP1A2DNM1
Hydrochloric Acid SCHEMBL3589381 0.87 TDP1 (0.56) TSHRALDH1A1CYP2C19CYP1A2DNM1
SCHEMBL6747424 0.87 ALDH1A1 (0.65) TSHRALDH1A1CYP2C19CYP1A2DNM1
SCHEMBL759749 0.87 ALDH1A1 (0.65) TSHRALDH1A1CYP2C19CYP1A2DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2023-11-28 US disclosed
EP-3728237-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP disclosed
WO-2018089695-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE DYNAVAX TECHNOLOGIES CORPORATION (US) 2018-05-17 WO disclosed
US-9315670-B2 Composition for forming resist underlayer film and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-19 US disclosed
US-20140235796-A1 COMPOSITION FOR FORMING RESIST UNDERLAYER FILM AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-08-21 US disclosed
US-7439237-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 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-11827641-B2 Toll-like receptor antagonist compounds and methods of use TLR7, TLR9, TLR1 TSHR 788/4885ALDH1A1 3948/4885CYP2C19 3685/4885

“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.