SCHEMBL15869799

SCHEMBL15869799

C=C(C)C(=O)OCCCCCCCCCCCOc1ccc(/C(C#N)=C/c2ccc3c(c2)OCCO3)cc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
POLB P06746 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.37
TDP1 Q9NUW8 3/20 0.37
APEX1 P27695 1/20 0.37
KMT2A Q03164 5/20 0.37
PKM P14618 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CASP3 P42574 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP6 Q9GZR1 2/20 0.37
MEN1 O00255 3/20 0.36
SENP8 Q96LD8 1/20 0.35
MAPT P10636 2/20 0.35
USP2 O75604 1/20 0.35
KIF20A O95235 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 0.96 CRHBP (0.46) CRHBPCRHR2ALDH1A1HPGDPOLB
SCHEMBL15869765 0.93 CRHBP (0.44) CRHBPCRHR2ALDH1A1HPGDPOLB
SCHEMBL15869788 0.91 TDP1 (0.36) CRHBPCRHR2ALDH1A1HPGDPOLB
SCHEMBL15862454 0.89 MAPT (0.45) CRHBPCRHR2ALDH1A1HPGDPOLB
SCHEMBL15862453 0.89 MAPT (0.45) CRHBPCRHR2ALDH1A1HPGDPOLB
SCHEMBL14722523 0.87 POLB (0.50) CRHBPCRHR2ALDH1A1HPGDPOLB
SCHEMBL14722525 0.87 POLB (0.50) CRHBPCRHR2ALDH1A1HPGDPOLB
SCHEMBL15869798 0.86 KIF20A (0.42) CRHBPCRHR2ALDH1A1HPGDPOLB
SCHEMBL15862388 0.86 CRHBP (0.46) CRHBPCRHR2ALDH1A1HPGDTDP1
SCHEMBL15862389 0.86 CRHBP (0.46) CRHBPCRHR2ALDH1A1HPGDTDP1

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 4262/4885ALDH1A1 2806/4885

“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.