SCHEMBL10248296

SCHEMBL10248296

OCCOc1ccc([S+](c2ccc(OCCO)cc2)c2ccc(Sc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
RECQL P46063 1/20 0.55
GAA P10253 1/20 0.47
NR1I2 O75469 1/20 0.39
CYP19A1 P11511 1/20 0.39
KCNA3 P22001 1/20 0.37
PKM P14618 1/20 0.37
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALOX5 P09917 2/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
PTGES O14684 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL1127571 0.94 ALDH1A1 (0.47) ALDH1A1RECQLGAANR1I2CYP19A1
SCHEMBL1792905 0.91 GAA (0.65) ALDH1A1RECQLGAAPKMSMN1; SMN2
SCHEMBL31310747 0.90 ALDH1A1 (0.67) ALDH1A1RECQLGAANR1I2CYP19A1
SCHEMBL1788549 0.88 GAA (0.69) ALDH1A1RECQLGAAPKMSMN1; SMN2
SCHEMBL30513317 0.88 ALDH1A1 (0.42) ALDH1A1RECQLGAANR1I2CYP19A1
SCHEMBL31534662 0.88 ALDH1A1 (0.42) ALDH1A1RECQLGAANR1I2CYP19A1
SCHEMBL10878453 0.87 ALDH1A1 (0.67) ALDH1A1RECQLGAANR1I2CYP19A1
SCHEMBL2630455 0.84 NR1I2 (0.40) ALDH1A1RECQLGAANR1I2CYP19A1
SCHEMBL1789304 0.84 GAA (0.59) ALDH1A1RECQLGAANR1I2PKM
SCHEMBL890770 0.83 ALDH1A1 (0.58) ALDH1A1RECQLGAANR1I2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8647812-B2 Pattern forming method, chemical amplification resist composition and resist film FUJIFILM CORPORATION (JP) 2014-02-11 US disclosed
US-8557499-B2 Actinic-ray- or radiation-sensitive resin composition, compound and method of forming pattern using the composition FUJIFILM CORPORATION (JP) 2013-10-15 US disclosed
US-20130034706-A1 PATTERN FORMING METHOD, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, PRODUCTION METHOD OF ELECTRONIC DEVICE, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2013-02-07 US disclosed
US-20130011619-A1 PATTERN FORMING METHOD, CHEMICAL AMPLIFICATION RESIST COMPOSITION AND RESIST FILM FUJIFILM CORPORATION (JP) 2013-01-10 US disclosed
US-20120076996-A1 RESIST COMPOSITION, RESIST FILM THEREFROM AND METHOD OF FORMING PATTERN THEREWITH FUJIFILM CORPORATION (JP) 2012-03-29 US disclosed
US-20110008731-A1 ACTINIC-RAY-OR RADIATION-SENSITIVE RESIN COMPOSITION, COMPOUND AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2011-01-13 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-20110008731-A1 ACTINIC-RAY-OR RADIATION-SENSITIVE RESIN COMPOSITION, COMPOUND AND METHOD OF FORMING PATTERN USING THE COMPOSITION RER1, XRN2, RXRA ALDH1A1 2195/4885RECQL 282/4885GAA 562/4885

“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.