SCHEMBL7167362

SCHEMBL7167362

CCc1c(C)cn2cc(C(=O)O)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.42
ALDH1A1 P00352 7/20 0.42
HCAR3 P49019 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
APEX1 P27695 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
NR4A1 P22736 1/20 0.36
APOBEC3A P31941 1/20 0.36
RECQL P46063 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL6491223 0.67 HPGD (0.42) ALDH1A1HCAR3SMN1; SMN2KMT2AKDM4E
SCHEMBL21707026 0.65 TPMT (0.50) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL1257017 0.63 BRD4 (0.46) ALDH1A1HCAR3SMN1; SMN2KMT2AKDM4E
SCHEMBL30204339 0.63 ALDH1A1 (0.39) ALDH1A1HCAR3SMN1; SMN2KMT2AKDM4E
Terephthalic Acid SCHEMBL27306913 0.63 TSHR (0.75) ALDH1A1SMN1; SMN2KMT2AMEN1RXRA
SCHEMBL6915465 0.63 ALDH1A1 (0.95) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
Terephthalic Acid SCHEMBL28706002 0.62 TSHR (0.86) ALDH1A1SMN1; SMN2ALOX15
SCHEMBL3258577 0.62 ALDH1A1 (0.52) SLC22A12ALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL2591830 0.62 EPHX2 (0.54) SLC22A12ALDH1A1SMN1; SMN2KMT2AKDM4E
Methylamine SCHEMBL11526017 0.61 ALDH1A1 (0.91) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6572664-B2 Oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2003-06-03 US claimed
US-20020170121-A9 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same L'OREAL S.A. (FR) 2002-11-21 US claimed
US-20020002749-A1 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same BRETON PHILIPPE (FR) 2002-01-10 US claimed
US-6572664-B2 Oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2003-06-03 US disclosed
US-20020170121-A9 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same L'OREAL S.A. (FR) 2002-11-21 US disclosed
US-20020002749-A1 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same BRETON PHILIPPE (FR) 2002-01-10 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-20020002749-A1 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same KRT18, INMT, IDO1 SLC22A12 4578/4885ALDH1A1 897/4885HCAR3 1601/4885
US-20020170121-A9 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same KRT18, INMT, IDO1 SLC22A12 4578/4885ALDH1A1 897/4885HCAR3 1601/4885

“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.