SCHEMBL4420708

SCHEMBL4420708

C=CCCCCCCCCC=N

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ABCC4 O15439 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TRPA1 O75762 3/20 0.41
LPAR3 Q9UBY5 2/20 0.38
LMNA P02545 2/20 0.38
LPAR2 Q9HBW0 1/20 0.38
TDP1 Q9NUW8 2/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL4427020 1.00 TSHR (0.52) TSHRABCC4MAPTALDH1A1TRPA1
SCHEMBL4421380 1.00 TSHR (0.52) TSHRABCC4MAPTALDH1A1TRPA1
SCHEMBL4419741 1.00
SCHEMBL4417812 1.00 TSHR (0.52) TSHRABCC4MAPTALDH1A1TRPA1
SCHEMBL4423736 0.97
SCHEMBL4417871 0.90
SCHEMBL2846645 0.83 TSHR (0.69) TSHRABCC4MAPTALDH1A1TRPA1
SCHEMBL18187342 0.83 TSHR (0.69) TSHRABCC4MAPTALDH1A1TRPA1
SCHEMBL18187333 0.83 TSHR (0.69) TSHRABCC4MAPTALDH1A1TRPA1
SCHEMBL18186951 0.83 TSHR (0.69) TSHRABCC4MAPTALDH1A1TRPA1

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491752-B2 Photoactive materials ROLIC AG (CH) 2009-02-17 US claimed
US-7034098-B2 POlyimide, polyamide; liquid crystals, opticsoptics ROLIC AG (CH) 2006-04-25 US claimed
EP-1368411-B1 PHOTOACTIVE POLYMER ROLIC AG (CH) 2005-07-06 EP claimed
US-20040265742-A1 Photoactive materials ROLIC AG (CH) 2004-12-30 US claimed
US-20040185215-A1 Photoactive polymer based on polyimides, polyamic acids and esters characterised in that it contains as a side-chain a dendritic block incorporating photoactive groups at its surface; use as orientation layers for liquid crystals and in the construction of unstructured and structured optical elements ROLIC AG (CH) 2004-09-23 US claimed
EP-1409563-A1 PHOTOACTIVE MATERIALS Rolic AG (CH) 2004-04-21 EP claimed
EP-1368411-A1 PHOTOACTIVE POLYMER Rolic AG (CH) 2003-12-10 EP claimed
WO-2003008472-A1 PHOTOACTIVE MATERIALS ROLIC AG (CH) 2003-01-30 WO claimed
EP-1277770-A1 Photoactive materials Rolic AG (CH) 2003-01-22 EP claimed
WO-2002062873-A9 PHOTOACTIVE POLYMER ROLIC AG (CH) 2002-10-03 WO claimed
WO-2002062873-A1 PHOTOACTIVE POLYMER ROLIC AG (CH) 2002-08-15 WO claimed
EP-1229066-A1 Photoactive polymer Rolic AG (CH) 2002-08-07 EP claimed
US-11192904-B2 Silicone compounds comprising a benefit agent moiety THE PROCTER & GAMBLE COMPANY (US) 2021-12-07 US disclosed
US-20200095267-A1 SILICONE COMPOUNDS PROCTER & GAMBLE (US) 2020-03-26 US disclosed
US-10590148-B2 Silicone compounds comprising a ketone or aldehyde benefit agent moiety THE PROCTER & GAMBLE COMPANY (US) 2020-03-17 US disclosed
EP-3572449-A1 SILICONE COMPOUNDS The Procter & Gamble Company (US) 2019-11-27 EP disclosed
EP-1070731-A1 Compound Rolic AG (CH) 2001-01-24 EP disclosed
WO-2000059966-A1 PHOTOACTIVE POLYMERS ROLIC AG (CH) 2000-10-12 WO disclosed
EP-1021479-A1 PHOTOCROSSLINKABLE POLYIMIDES Rolic AG (CH) 2000-07-26 EP disclosed
WO-1999015576-A1 PHOTOCROSSLINKABLE POLYIMIDES ROLIC AG (CH) 1999-04-01 WO 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 (3 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-20200095267-A1 SILICONE COMPOUNDS SMCHD1, SRI, SMS TSHR 3842/4885ABCC4 2097/4885MAPT 904/4885
US-10590148-B2 Silicone compounds comprising a ketone or aldehyde benefit agent moiety SMN1; SMN2, KARS1, ACADM TSHR 4157/4885ABCC4 2608/4885MAPT 851/4885
US-11192904-B2 Silicone compounds comprising a benefit agent moiety SMCHD1, SMN1; SMN2, SGMS2 TSHR 3680/4885ABCC4 2415/4885MAPT 1243/4885

“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.