SCHEMBL2030462

SCHEMBL2030462

CCCCCCOc1ccc(C(C#N)=Cc2ccc(OCCCCCCO)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ PLA2G4B P0C869 5/20 0.47
▸ ESR1 P03372 2/20 0.46
▸ ESR2 Q92731 2/20 0.46
▸ NR5A1 Q13285 1/20 0.46
▸ RARB P10826 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ NQO2 P16083 1/20 0.45
▸ PLA2G4A P47712 2/20 0.43

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
SCHEMBL12585684 1.00 TP53 (0.48) TP53TSHRKDM4EALDH1A1HPGD
SCHEMBL11660429 0.95 TP53 (0.52) TP53TSHRKDM4EALDH1A1HPGD
SCHEMBL11659439 0.95 TP53 (0.52) TP53TSHRKDM4EALDH1A1HPGD
SCHEMBL11656786 0.95 TP53 (0.52) TP53TSHRKDM4EALDH1A1HPGD
SCHEMBL11332817 0.94 ALDH1A1 (0.52) TP53TSHRKDM4EALDH1A1HPGD
SCHEMBL11332814 0.94 ALDH1A1 (0.52) TP53TSHRKDM4EALDH1A1HPGD
SCHEMBL10635627 0.91 TP53 (0.49) TP53TSHRKDM4EALDH1A1HPGD
SCHEMBL10635633 0.91 TP53 (0.49) TP53TSHRKDM4EALDH1A1HPGD
SCHEMBL11656013 0.91 TP53 (0.49) TP53TSHRKDM4EALDH1A1HPGD
SCHEMBL20156660 0.91 ALDH1A1 (0.54) TP53TSHRKDM4EALDH1A1HPGD

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-7959990-B2 Adjustment of liquid crystals; oligomers, dendrimers, or polymer in solution is applied to support; crosslinking by radiation or polarized light ROLIC AG (CH) 2011-06-14 — — US disclosed
EP-1928979-B1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2009-03-04 — — EP disclosed
US-20080274304-A1 Functionalized Photoreactive Compounds ROLIC AG (CH) 2008-11-06 — — US disclosed
EP-1928979-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS Rolic AG (CH) 2008-06-11 — — EP disclosed
WO-2007033506-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2007-03-29 — — WO disclosed
EP-1764405-A1 Functionalized photoreactive compounds Rolic AG (CH) 2007-03-21 — — EP 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-20080274304-A1 Functionalized Photoreactive Compounds PCNA, PIN1, MAP1LC3C TP53 4824/4885TSHR 4847/4885KDM4E 2641/4885

“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.

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