SCHEMBL16237335

SCHEMBL16237335

CCCCCC(CCC)CNCC(CC)CCCC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.79
ALDH1A1 P00352 4/20 0.79
CYP3A4 P08684 4/20 0.79
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 3/20 0.40
CA2 P00918 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
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
DNM1 Q05193 1/20 0.34
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL24735755 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL20629240 0.96 TSHR (0.86) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL11096395 0.94 ALDH1A1 (0.83) TSHRALDH1A1CYP3A4KDM4ETDP1
Magnesium Chloride Anhydrous SCHEMBL28824601 0.93 TSHR (0.68) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL16236793 0.91 ALDH1A1 (0.64) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL24467443 0.91 TSHR (0.78) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL16237152 0.91 ALDH1A1 (0.86) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL277614 0.91 ALDH1A1 (0.62) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL16236706 0.89 ALDH1A1 (0.82) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL16236848 0.89 ALDH1A1 (0.60) TSHRALDH1A1CYP3A4KDM4ELMNA

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 TSHR 959/4885ALDH1A1 989/4885CYP3A4 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.