SCHEMBL16489111

SCHEMBL16489111

CCC=c1cc2c(cc1C)=C(c1ccccc1C(=O)O)c1cc(C)c(NCC)cc1O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.34
GAA P10253 2/20 0.32
HTT P42858 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
FABP4 P15090 1/20 0.31
MEN1 O00255 2/20 0.31
POLB P06746 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
RECQL P46063 1/20 0.31
USP2 O75604 2/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL14212746 1.00 MYC (0.34) MYCGAAHTTCYP1A2CYP3A4
SCHEMBL25207239 0.93 MYC (0.35) MYCGAAHTTCYP1A2CYP3A4
SCHEMBL14681719 0.90 LMNA (0.35) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14870371 0.86 GAA (0.34) MYCGAAHTTCYP1A2CYP3A4
SCHEMBL17988281 0.85
SCHEMBL25266487 0.83 MYC (0.34) MYCGAAHTTCYP1A2CYP3A4
SCHEMBL21309436 0.83 ALDH1A1 (0.35) HTTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14212752 0.78 ACE (0.35) MEN1KMT2A
SCHEMBL16272870 0.76 HTT (0.34) GAAHTTCYP1A2CYP3A4CYP2D6
SCHEMBL12302213 0.76 TSHR (0.36) GAACYP1A2CYP3A4CYP2C9CYP2C19

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-9289508-B2 Environmentally sensitive compositions and methods of use in the treatment and diagnosis of tumors UNIVERSITY OF RHODE ISLAND (US) 2016-03-22 US disclosed
US-20150051153-A1 Environmentally Sensitive Compositions UNIVERSITY OF RHODE ISLAND BOARD OF TRUSTEES 2015-02-19 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-20150051153-A1 Environmentally Sensitive Compositions PHLPP1, PHLPP2, FABP2 MYC 1365/4885GAA 2973/4885HTT 2232/4885

“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.