SCHEMBL2775740

SCHEMBL2775740

O=C(OCC(F)F)C12CC3CC(CC(C3)C1)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
RECQL P46063 1/20 0.46
PRKCA P17252 1/20 0.46
GAA P10253 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP17A1 P05093 2/20 0.44
CYP19A1 P11511 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL10211805 0.83 PRKCA (0.61) ALDH1A1RECQLPRKCAGAACYP17A1
SCHEMBL13148547 0.81 CYP17A1 (0.61) ALDH1A1RECQLGAASMN1; SMN2CYP17A1
SCHEMBL13148562 0.79 RECQL (0.54) ALDH1A1RECQLGAASMN1; SMN2CYP17A1
SCHEMBL10170645 0.77 GAA (0.63) ALDH1A1RECQLGAASMN1; SMN2KDM4E
SCHEMBL3454497 0.77 ALDH1A1 (0.45) ALDH1A1RECQLGAASMN1; SMN2CYP17A1
SCHEMBL544306 0.76 ALDH1A1 (0.43) ALDH1A1RECQLGAASMN1; SMN2CYP17A1
SCHEMBL3454541 0.75 ALDH1A1 (0.43) ALDH1A1RECQLGAASMN1; SMN2CYP17A1
SCHEMBL12705450 0.74 PRKCA (0.48) ALDH1A1RECQLPRKCAGAACYP17A1
SCHEMBL1261340 0.74 PRKCA (0.51) ALDH1A1PRKCACYP17A1CYP19A1MAPT
SCHEMBL9894463 0.74 RECQL (0.44) ALDH1A1RECQLGAASMN1; SMN2CYP17A1

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-8318404-B2 Salt and photoresist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-27 US disclosed
US-20100316952-A1 SALT AND PHOTORESIST COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-16 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-20100316952-A1 SALT AND PHOTORESIST COMPOSITION CONTAINING THE SAME AFF1, AFF2, AFF4 ALDH1A1 1746/4885RECQL 4108/4885PRKCA 4253/4885

“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.