SCHEMBL4401972

SCHEMBL4401972

CCC(C)(C)c1ccc(C)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.52
ESR2 Q92731 5/20 0.52
AR P10275 3/20 0.52
CNR1 P21554 6/20 0.47
CNR2 P34972 6/20 0.47
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2614950 0.86 ESR1 (0.70) ESR1ESR2ARTDP1
SCHEMBL29492899 0.86 ESR1 (0.70) ESR1ESR2ARTDP1
SCHEMBL56223 0.83 ALDH1A1 (0.61) ESR1ESR2ARCNR1CNR2
SCHEMBL340143 0.83 NPC1 (0.55) ESR1ESR2ARCNR1CNR2
SCHEMBL9154408 0.83 RAB9A (0.48) ESR1ESR2ARCNR1CNR2
SCHEMBL13096081 0.82 SHBG (0.57) ESR1ESR2ARCNR1CNR2
Butane SCHEMBL6673989 0.80 ALDH1A1 (0.57) ESR1ESR2ARCNR1CNR2
SCHEMBL1900996 0.80 SMN1; SMN2 (0.44) ESR1ESR2ARCNR1CNR2
SCHEMBL674323 0.79 ALDH1A1 (0.67) ESR1ESR2ARLMNAMAPK1
SCHEMBL13204224 0.79 ESR1 (0.71) ESR1ESR2ARCNR1CNR2

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
WO-2024147288-A1 PATTERN FORMING METHOD, PATTERN FORMING KIT, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE 富士フイルム株式会社 2024-07-11 WO disclosed
US-10800732-B2 Substituted malonamides and their use as antibacterial drugs NATIONAL TAIWAN UNIVERSITY (TW) 2020-10-13 US disclosed
US-8232039-B2 Polymer and resist composition comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-31 US disclosed
US-8173352-B2 Resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20100151380-A1 RESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-17 US disclosed
US-20100136481-A1 RESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
US-20100124719-A1 Polymer and Resist Composition Comprising the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-20 US disclosed
US-20100113678-A1 FLUORINE-CONTAINING NOVOLAC RESIN, FLUORINE-CONTAINING SURFACTANT, FLUORINE-CONTAINING SURFACTANT COMPOSITION, AND RESIN COMPOSITION DIC CORPORATION (JP) 2010-05-06 US disclosed
US-20100081085-A1 Polymer and Resist Composition Comprising the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 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 (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-20070185110-A1 Antiallergic agents NAT1, EPX, AHR ESR1 273/4885ESR2 191/4885AR 86/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA ESR1 3695/4885ESR2 2631/4885AR 254/4885
US-10800732-B2 Substituted malonamides and their use as antibacterial drugs NAAA, MAL2, MGAM ESR1 1889/4885ESR2 2503/4885AR 3753/4885

“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.