SCHEMBL16237152

SCHEMBL16237152

CCCCCC(CC)CNCC(CC)CCCCC

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.86
TSHR P16473 5/20 0.86
CYP3A4 P08684 3/20 0.86
KDM4E B2RXH2 1/20 0.51
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
OPRM1 P35372 1/20 0.39
CA2 P00918 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
GLA P06280 1/20 0.36
LCK P06239 1/20 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
SCHEMBL9768463 0.98 ALDH1A1 (0.82) ALDH1A1TSHRCYP3A4KDM4ELMNA
SCHEMBL16236706 0.98 ALDH1A1 (0.82) ALDH1A1TSHRCYP3A4KDM4ELMNA
SCHEMBL11096395 0.93 ALDH1A1 (0.83) ALDH1A1TSHRCYP3A4KDM4ELMNA
SCHEMBL14365914 0.92 TSHR (1.00) ALDH1A1TSHRCYP3A4KDM4ELMNA
SCHEMBL123557 0.92 TSHR (1.00) ALDH1A1TSHRCYP3A4KDM4ELMNA
SCHEMBL23611735 0.92 TSHR (1.00) ALDH1A1TSHRCYP3A4KDM4ELMNA
SCHEMBL24735755 0.91 TSHR (0.79) ALDH1A1TSHRCYP3A4KDM4ELMNA
SCHEMBL16237335 0.91 TSHR (0.79) ALDH1A1TSHRCYP3A4KDM4ELMNA
SCHEMBL24467442 0.90 TSHR (0.95) ALDH1A1TSHRCYP3A4KDM4ELMNA
Hydrochloric Acid SCHEMBL10525132 0.90 TSHR (0.95) ALDH1A1TSHRCYP3A4KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160096819-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF BASF SE (DE) 2016-04-07 US disclosed
EP-2997020-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF BASF SE (DE) 2016-03-23 EP disclosed
CN-105189477-A Process for preparing n-substituted 1h-pyrazole-5-carboxylic acid compounds and derivatives thereof BASF SE 2015-12-23 CN disclosed
WO-2014184343-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF BASF SE (DE) 2014-11-20 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-20160096819-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF CA3, CA2, CA1 ALDH1A1 989/4885TSHR 959/4885CYP3A4 250/4885

“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.