SCHEMBL4814784

SCHEMBL4814784

CCC(C)NC(=O)c1cc[c]c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.58
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.46
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 2/20 0.43
STAT1 P42224 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL26688583 0.80 SMN1; SMN2 (0.43) ALDH1A1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL26688582 0.79 PLK1 (0.50) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL4822455 0.78 RXFP1 (0.44) MAPK1ALDH1A1RAB9APOLBSMN1; SMN2
SCHEMBL3028919 0.77 HPGD (0.55) ALDH1A1RAB9AHPGDNPC1TP53
SCHEMBL2422430 0.75 TPMT (0.48) MAPK1RAB9ANPC1PKMLMNA
SCHEMBL24175859 0.74 TAS1R3 (0.68) MAPK1ALDH1A1RAB9ATAS1R3TAS1R1
SCHEMBL360178 0.74 HPGD (0.48) ALDH1A1RAB9APOLBHPGDGAA
SCHEMBL3830003 0.74 KMT2A (0.44) ALDH1A1RAB9APOLBHPGDSMN1; SMN2
SCHEMBL8132733 0.74 KDM4E (0.44) GAAKMT2A
SCHEMBL3964444 0.74 CA1 (0.47) ALDH1A1RAB9APOLBHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US claimed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 US claimed
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 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-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 MAPK1 577/4885ALDH1A1 370/4885RAB9A 2928/4885

“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.