SCHEMBL15869765

SCHEMBL15869765

C=C(C)C(=O)OCCCCCCCCCCCOc1ccc(/C=C(\C#N)c2ccc3c(c2)OCO3)cc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 5/20 0.39
KDM4E B2RXH2 4/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
KIF20A O95235 1/20 0.37
MAOB P27338 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LDLR P01130 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 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
SCHEMBL15869816 0.97 CRHBP (0.46) CRHBPCRHR2TDP1KMT2AKDM4E
SCHEMBL15869799 0.93 CRHBP (0.41) CRHBPCRHR2TDP1KMT2AKDM4E
SCHEMBL14722270 0.90 PTPN7 (0.44) CRHBPCRHR2TDP1KMT2AKDM4E
SCHEMBL14722323 0.90 PTPN7 (0.44) CRHBPCRHR2TDP1KMT2AKDM4E
SCHEMBL15862121 0.90 PTPN7 (0.44) CRHBPCRHR2TDP1KMT2AKDM4E
SCHEMBL14722324 0.90 PTPN7 (0.44) CRHBPCRHR2TDP1KMT2AKDM4E
SCHEMBL15862122 0.90 PTPN7 (0.44) CRHBPCRHR2TDP1KMT2AKDM4E
SCHEMBL14722269 0.90 PTPN7 (0.44) CRHBPCRHR2TDP1KMT2AKDM4E
SCHEMBL15862471 0.89 TDP1 (0.48) CRHBPCRHR2TDP1KMT2AKDM4E
SCHEMBL14723240 0.89 TDP1 (0.48) CRHBPCRHR2TDP1KMT2AKDM4E

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-9366906-B2 Photoreactive compounds ROLIC AG (CH) 2016-06-14 US disclosed
US-20140192305-A1 PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2014-07-10 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-20140192305-A1 PHOTOREACTIVE COMPOUNDS PCNA, CRY1, CRY2 CRHBP 3646/4885CRHR2 4262/4885TDP1 1806/4885

“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.