SCHEMBL12993264

SCHEMBL12993264

CC(C)(C)c1ccc(CCC(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.53
EPHX2 P34913 2/20 0.53
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.52
KLF5 Q13887 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.51
ESRRG P62508 4/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
SLC13A5 Q86YT5 2/20 0.49
LMNA P02545 2/20 0.49
ESRRB O95718 2/20 0.47
EPHX1 P07099 1/20 0.47
CAPN1 P07384 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
CYP2C19 P33261 1/20 0.46
COPS5 Q92905 1/20 0.46

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
SCHEMBL11387939 0.84 NR1H4 (0.55) NR1H4EPHX2RAB9AESRRGRXRA
SCHEMBL2953957 0.82 ALDH1A1 (0.59) NR1H4EPHX2RAB9AALDH1A1ESRRG
SCHEMBL846131 0.82 NR1H4 (0.71) NR1H4EPHX2ESRRGRXRARXRB
SCHEMBL2316007 0.81 TAAR1 (0.57) CAPN1
SCHEMBL24111761 0.81 NR1H4 (0.53) NR1H4EPHX2RAB9AESRRGRXRA
SCHEMBL4117126 0.81 NR1H4 (0.53) NR1H4EPHX2RAB9AESRRGRXRA
SCHEMBL1661919 0.81 NR1H4 (0.45) NR1H4EPHX2ESRRGRXRARXRB
SCHEMBL2387771 0.81 RXRA (0.50) NR1H4EPHX2TP53RAB9AKLF5
SCHEMBL3816900 0.80 CA2 (0.57) NR1H4EPHX2SMN1; SMN2ALDH1A1ESRRG
SCHEMBL23582506 0.80 BRS3 (0.51) NR1H4EPHX2TP53RAB9AKLF5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117598326-A Insect repellent composition and preparation method and application thereof 河南省产品质量检验技术研究院 2024-02-27 CN disclosed
CN-108569977-A A kind of preparation method of primary fatty amides 中国科学技术大学 2018-09-25 CN disclosed
US-7858616-B2 Indolinone derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-12-28 US disclosed
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-06 US disclosed
US-7547703-B2 Indoline derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-06-16 US disclosed
US-7547703-B2 Indoline derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-06-16 US disclosed
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-7169936-B2 Indolinone derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-30 US disclosed
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS ROTH GERALD J 2007-01-04 US disclosed
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS ROTH GERALD J 2007-01-04 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 (2 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-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR NR1H4 563/4885EPHX2 3853/4885TP53 826/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 NR1H4 491/4885EPHX2 3648/4885TP53 836/4885

“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.