SCHEMBL13039581

SCHEMBL13039581

CCC(C)C(=O)NCc1cccc(C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.50
▸ NR1H4 Q96RI1 1/20 0.47
▸ BACE1 P56817 2/20 0.44
▸ MLYCD O95822 1/20 0.44
▸ MME P08473 1/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ PLA2G1B P04054 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALOX15 P16050 1/20 0.43

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
SCHEMBL3882782 0.89 MLYCD (0.56) MLYCDRAB9ALMNACYP3A4GAA
SCHEMBL12993462 0.87 ERCC1 (0.55) BCHENR1H4BACE1MLYCDRAB9A
SCHEMBL15623780 0.87 MME (0.51) MMERAB9ALMNACYP3A4GAA
SCHEMBL18697528 0.81 RIPK1 (0.61) MMERAB9ALMNACYP3A4GAA
SCHEMBL13296168 0.80 MAPT (0.51) MMELMNACYP3A4ALDH1A1
SCHEMBL15623819 0.80 TSHR (0.47) BACE1MMERAB9ALMNACYP3A4
SCHEMBL12993428 0.80 NR1H4 (0.51) BCHENR1H4MLYCDRAB9ALMNA
SCHEMBL78062 0.79 NR1H4 (0.57) BCHENR1H4BACE1MLYCDRAB9A
SCHEMBL11155246 0.79 KIF11 (0.58) BCHENR1H4BACE1MLYCDRAB9A
SCHEMBL12302906 0.79 ERAP2 (0.63) BACE1MMERAB9ACYP3A4GAA

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-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

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-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 BCHE 4100/4885NR1H4 491/4885BACE1 2291/4885

“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.

Send feedback