SCHEMBL16998571

SCHEMBL16998571

CCc1cccc(C)c1N(C(=O)CCl)/C(C)=C/CO

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ NR1I2 O75469 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ OPRM1 P35372 4/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ GPX4 P36969 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL15505753 0.84 TP53 (0.55) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL15505752 0.84 TP53 (0.55) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL10890129 0.81 TP53 (0.58) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL27536448 0.79 TP53 (0.58) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL17536268 0.77 ALDH1A1 (0.56) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL16998573 0.77 TP53 (0.53) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL10888309 0.75 ALDH1A1 (0.63) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL11487958 0.74 ALDH1A1 (0.62) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL10858355 0.74 TP53 (0.74) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL17002042 0.73 TP53 (0.55) TP53ALDH1A1TDP1CYP3A4NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199930-B2 Process for the preparation of (S)-2-ethyl-N-(1-methoxypropan-2-yl)-6-methyl aniline COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-12-01 — — US disclosed
US-20150225340-A1 PROCESS FOR THE PREPARATION OF (S)-2-ETHYL-N-(1-METHOXYPROPAN -2-YL)-6-METHYL ANILINE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-08-13 — — 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-20150225340-A1 PROCESS FOR THE PREPARATION OF (S)-2-ETHYL-N-(1-METHOXYPROPAN -2-YL)-6-METHYL ANILINE AZI2, HTR2A, HTR1B TP53 4092/4885ALDH1A1 410/4885TDP1 2621/4885

“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.

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