SCHEMBL10161372

SCHEMBL10161372

Cc1cc2c(NC(=O)OC(C)(C)C)cccc2c(OCc2ccccc2)c1C(=O)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC1 Q13547 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGER1 P34995 1/20 0.38
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37

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
SCHEMBL13072201 0.88 CNR2 (0.41) BRD4KMT2ATRPV1CYP1A2CYP2C19
SCHEMBL10161338 0.80 HPGD (0.46) KMT2AMAPTTDP1PTGER1USP2
SCHEMBL10161340 0.79 THRA (0.42) MAPTTDP1PTGER1USP2ALDH1A1
SCHEMBL10161339 0.78 MRGPRX4 (0.46) KMT2AMAPTTDP1USP2ALDH1A1
SCHEMBL10161437 0.74 MAPT (0.43) MAPTTDP1LMNAHPGD
SCHEMBL30705048 0.73 BRD4 (0.54) BRD4KMT2ANPC1RAB9AMAPT
SCHEMBL4485886 0.73 PLAU (0.52) NPC1RAB9AHDAC1TRPV1PDK1
SCHEMBL10102057 0.73 CYP2C9 (0.38) KMT2ANPC1RAB9AMAPTCYP2C9
SCHEMBL22626751 0.72 NPC1 (0.50) KMT2ANPC1RAB9AMAPTTDP1
SCHEMBL20860621 0.72 PDK1 (0.39) NPC1RAB9AHDAC1CYP2C9PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115819-A1 Pentacycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-10 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 (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-20120115819-A1 Pentacycline Compounds TSLP, IL5, IL17A BRD4 849/4885KMT2A 2615/4885NPC1 3978/4885

“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.