SCHEMBL2679725

SCHEMBL2679725

CC(CCCCc1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.58
ESR2 Q92731 4/20 0.58
SLC6A2 P23975 4/20 0.53
SLC6A4 P31645 4/20 0.53
SLC6A3 Q01959 3/20 0.53
LMNA P02545 3/20 0.53
HIF1A Q16665 3/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
TACR2 P21452 2/20 0.53
ADRB3 P13945 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
SHBG P04278 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
HSPD1 P10809 1/20 0.53
HTR2C P28335 1/20 0.53
HSPE1 P61604 1/20 0.53
TST Q16762 1/20 0.53

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
SCHEMBL10761871 0.86 ESR1 (0.64) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL28477538 0.86 ESR1 (0.57) ESR1ESR2SLC6A2SLC6A3LMNA
SCHEMBL9412151 0.86 ESR1 (0.57) ESR1ESR2SLC6A2SLC6A3LMNA
SCHEMBL980192 0.82 SLC6A2 (0.59) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL9616718 0.81 ESR1 (0.62) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL6686936 0.81 ESR1 (0.52) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL28732505 0.81 ESR1 (0.62) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL237709 0.81 ESR1 (0.62) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL573990 0.81 ESR1 (0.62) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL9225478 0.81 ESR1 (0.57) ESR1ESR2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841059-B2 Crosslinking agent, negative resist composition, and pattern forming method using the negative resist composition DAI NIPPON PRINTING CO., LTD. (JP) 2014-09-23 US disclosed
US-8193274-B2 Metal-clad laminates having improved peel strength and compositions useful for the preparation thereof ARLON (US) 2012-06-05 US disclosed
US-20120115084-A1 CROSSLINKING AGENT, NEGATIVE RESIST COMPOSITION, AND PATTERN FORMING METHOD USING THE NEGATIVE RESIST COMPOSITION DAI NIPPON PRINTING CO., LTD. (JP) 2012-05-10 US disclosed
US-20090176918-A1 METAL-CLAD LAMINATES HAVING IMPROVED PEEL STRENGTH AND COMPOSITIONS USEFUL FOR THE PREPARATION THEREOF ARLON 2009-07-09 US disclosed
US-20090176106-A1 METAL-CLAD LAMINATES HAVING IMPROVED PEEL STRENGTH AND COMPOSITIONS USEFUL FOR THE PREPARATION THEREOF ARLON 2009-07-09 US disclosed
US-7183323-B2 Diaromatic compound containing 2-amine groups, useful for treating neuropathic pain THERAVANCE, INC. (US) 2007-02-27 US disclosed
US-20040204460-A1 Sodium channel modulators THERAVANCE BIOPHARMA R&D IP, LLC 2004-10-14 US disclosed
US-6756400-B2 Sodium channel modulators THERAVANCE, INC. 2004-06-29 US disclosed
US-20030027822-A1 Sodium channel modulators THERAVANCE BIOPHARMA R&D IP, LLC 2003-02-06 US disclosed
WO-2002018334-A2 SODIUM CHANNEL MODULATORS THERAVANCE, INC. (US) 2002-03-07 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 (3 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-20120115084-A1 CROSSLINKING AGENT, NEGATIVE RESIST COMPOSITION, AND PATTERN FORMING METHOD USING THE NEGATIVE RESIST COMPOSITION SEM1, ELL, POLL ESR1 267/4885ESR2 61/4885SLC6A2 4689/4885
US-20040204460-A1 Sodium channel modulators SCN1A, SCN1B, CACNA1A ESR1 4336/4885ESR2 3460/4885SLC6A2 145/4885
US-20030027822-A1 Sodium channel modulators SCN1A, SCN1B, CACNA1A ESR1 4336/4885ESR2 3460/4885SLC6A2 145/4885

“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.