SCHEMBL19419845

SCHEMBL19419845

C=CCCC(O)(CCC=C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HTT P42858 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ CHRM2 P08172 4/20 0.33
▸ CHRM4 P08173 4/20 0.33
▸ CHRM5 P08912 4/20 0.33
▸ CHRM1 P11229 4/20 0.33
▸ CHRM3 P20309 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL9888403 0.83 SMN1; SMN2 (0.48) CYP2C9CYP2C19ALDH1A1TSHRHTT
SCHEMBL28831712 0.80 ALDH1A1 (0.42) CYP2C19ALDH1A1TSHRHTTKDM4E
SCHEMBL27495429 0.80 HTT (0.43) CYP1A2CYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL1035978 0.79 ALDH1A1 (0.53) CYP1A2CYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL616174 0.78 ALDH1A1 (0.57) CYP1A2CYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL1974668 0.78 KIF11 (0.48) CYP2C9CYP2C19ALDH1A1TSHRHTT
SCHEMBL16743003 0.76 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2LMNAKCNH2
SCHEMBL30778217 0.76 TSHR (0.39) CYP1A2CYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL10865897 0.75 TAAR1 (0.48) CYP2C19ALDH1A1TSHRHTTKDM4E
SCHEMBL9317928 0.75 MAPK1 (0.41) CYP2C9CYP2C19ALDH1A1TSHRHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12240810-B2 Chiral-substituted poly-N-vinylpyrrolidinones and complexes with bimetallic nanoclusters and uses thereof in asymmetric oxidation reactions KANSAS STATE UNIVERSITY RESEARCH (US) 2025-03-04 — — US disclosed
US-20220204447-A1 CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF IN ASYMMETRIC OXIDATION REACTIONS NATIONAL SCIENCE FOUNDATION 2022-06-30 — — US disclosed
WO-2017172763-A1 SYNTHESIS AND APPLICATION OF CHIRAL SUBSTITUTED POLYVINYLPYRROLIDINONES KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2017-10-05 — — 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 (2 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-20220204447-A1 CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF IN ASYMMETRIC OXIDATION REACTIONS DHPS, PCBP1, PNKP CYP1A2 161/4885CYP2C9 340/4885CYP2C19 567/4885
US-12240810-B2 Chiral-substituted poly-N-vinylpyrrolidinones and complexes with bimetallic nanoclusters and uses thereof in asymmetric oxidation reactions DHPS, PCBP1, PNKP CYP1A2 161/4885CYP2C9 340/4885CYP2C19 567/4885

“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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