SCHEMBL498118

SCHEMBL498118

COC(=O)c1ccc(-c2ccc(O)c(C)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.65
EGFR P00533 1/20 0.60
CA12 O43570 4/20 0.58
CA1 P00915 4/20 0.58
CA2 P00918 4/20 0.58
CA9 Q16790 4/20 0.58
CA14 Q9ULX7 4/20 0.58
CA7 P43166 2/20 0.58
XDH P47989 1/20 0.58
HSD17B1 P14061 5/20 0.55
HSD17B2 P37059 5/20 0.55
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL19111153 0.86 EGFR (0.65) ERN1EGFRCA12CA1CA2
SCHEMBL13830583 0.86 TDP1 (0.57) ERN1EGFRCA12CA1CA2
SCHEMBL172476 0.85 CA1 (0.71) ERN1CA12CA1CA2CA9
SCHEMBL4701077 0.85 ERN1 (0.68) ERN1EGFRCA12CA1CA2
SCHEMBL3821169 0.84 ERN1 (0.56) ERN1EGFRCA12CA1CA2
SCHEMBL28659596 0.83 CA12 (0.63) CA12CA1CA2CA9CA14
SCHEMBL10421921 0.83 CA1 (0.58) ERN1CA12CA1CA2CA9
SCHEMBL30929660 0.83 ERN1 (0.65) ERN1EGFRCA12CA1CA2
SCHEMBL29644794 0.81 ERN1 (0.63) ERN1EGFRCA12CA1CA2
SCHEMBL27507237 0.81 ERN1 (0.63) ERN1EGFRCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113748021-B Method for producing liquid crystal polyester processed product 本州化学工业株式会社 2024-07-05 CN claimed
CN-113748021-B Method for producing liquid crystal polyester processed product 本州化学工业株式会社 2024-07-05 CN disclosed
CN-113748021-A Method for producing liquid crystal polyester processed product 本州化学工业株式会社 2021-12-03 CN disclosed
US-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP disclosed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 US disclosed
EP-2029558-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
EP-1506195-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2008-10-29 EP disclosed
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2007-12-06 WO disclosed
EP-1506195-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2005-02-16 EP disclosed
US-6806265-B2 FOR THERAPY AND PROPHYLAXIS OF HIV INFECTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-10-19 US disclosed
US-20040006071-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2004-01-08 US disclosed
WO-2003097644-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-11-27 WO 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-20040006071-A1 Non-nucleoside reverse transcriptase inhibitors CBR1, POLR2H, SUB1 ERN1 184/4885EGFR 2236/4885CA12 3391/4885
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 ERN1 3094/4885EGFR 3049/4885CA12 4104/4885

“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.