SCHEMBL4246954

SCHEMBL4246954

CC(C)CC1CC(O)=C(C(=O)Nc2ccc(Oc3ccccc3)cc2)C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.44
PGR P06401 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PNLIP P16233 2/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 2/20 0.41
ALOX12 P18054 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CRHBP P24387 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
SCHEMBL4249844 0.85 SMN1; SMN2 (0.46) NPY5RPGRALDH1A1LMNAMAPT
SCHEMBL13743546 0.85 KMT2A (0.44) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL4238268 0.85 TRPV1 (0.42) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL13744072 0.83 PGR (0.49) NPY5RPGRALDH1A1LMNAMAPT
SCHEMBL13743994 0.82 PGR (0.46) NPY5RPGRALDH1A1LMNAMAPT
SCHEMBL4244319 0.81 TRPV1 (0.41) NPC1RAB9A
SCHEMBL4245614 0.81 PGR (0.49) NPY5RPGRALDH1A1LMNAMAPT
SCHEMBL4542615 0.80 DEGS1 (0.46) ALDH1A1MAPTMEN1USP2KMT2A
SCHEMBL4242180 0.79 MAPT (0.46) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL13743523 0.78 SMN1; SMN2 (0.47) ALDH1A1LMNAMAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 NPY5R 3760/4885PGR 3020/4885ALDH1A1 3119/4885

“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.