SCHEMBL7924328

SCHEMBL7924328

CC(=O)CCC(C)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
ACACB O00763 5/20 0.49
EBP Q15125 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
EPHX1 P07099 1/20 0.42
REN P00797 1/20 0.42
COPS5 Q92905 1/20 0.41
NR1H4 Q96RI1 3/20 0.41
EPHX2 P34913 2/20 0.41
TRPV1 Q8NER1 1/20 0.40
DPP4 P27487 1/20 0.39
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39

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
SCHEMBL9637955 0.87 NR1H4 (0.50) TP53TSHRACACBEBPSIGMAR1
SCHEMBL29906526 0.81 ACACB (0.45) ACACB
SCHEMBL15134804 0.80 NPC1 (0.41) EPHX1TRPV1DPP4
SCHEMBL15160674 0.80 NPC1 (0.41) EPHX1TRPV1DPP4
SCHEMBL13235780 0.80 ALDH1A1 (0.55) SIGMAR1
SCHEMBL20208030 0.80 ALDH1A1 (0.55) SIGMAR1
SCHEMBL10879579 0.77 TP53 (0.53) TP53TSHRACACBEBPSIGMAR1
SCHEMBL13235832 0.76 TP53 (0.56) TP53TSHRACACBEPHX1REN
SCHEMBL7120642 0.76 TP53 (0.51) TP53TSHRACACBEBPSIGMAR1
SCHEMBL8967452 0.75 TSHR (0.55) TP53TSHRACACBEBPSIGMAR1

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-6303823-B2 ?CROSSED ALDOL CONDENSATION? OF A KETONE WITH AN ALDEHYDE IN THE PRESENCE OF A CATALYST SYSTEM CONSISTING OF DIMETHYLAMINE OR PYRROLIDINE AND A CARBOXYLIC ACID TO FORM AN ALPHA,BETA-UNSATURATED KETONE BASF AKTIENGESELLSCHAFT (DE) 2001-10-16 US disclosed
US-20010003784-A1 Process for preparing ketones, in particular 6-methylheptan-2-one BASF AKTIENGESELLSCAFT (DE) 2001-06-14 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-20010003784-A1 Process for preparing ketones, in particular 6-methylheptan-2-one ADH1A, ADH1C, ADH5 TP53 4861/4885TSHR 3537/4885ACACB 120/4885

“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.