SCHEMBL22632177

SCHEMBL22632177

c1cc(CCCCCCCC2OC2CC2OC2CC2CO2)cc(OCC2CO2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.43
▸ PPARA Q07869 3/20 0.36
▸ PPARG P37231 2/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ SPHK2 Q9NRA0 3/20 0.35
▸ SPHK1 Q9NYA1 2/20 0.35
▸ ACACB O00763 1/20 0.35
▸ ACACA Q13085 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ ENPP2 Q13822 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
SCHEMBL20803789 0.92 ALDH1A1 (0.48) TP53TSHRALDH1A1CYP3A4SMN1; SMN2
SCHEMBL22610064 0.89 ALDH1A1 (0.51) TP53TSHRALDH1A1CYP3A4SMN1; SMN2
SCHEMBL21623607 0.81 PPARA (0.44) TP53TSHRALDH1A1CYP3A4SMN1; SMN2
SCHEMBL22855755 0.81 ALDH1A1 (0.72) TP53TSHRALDH1A1CYP3A4SMN1; SMN2
SCHEMBL8469317 0.79 ALDH1A1 (0.60) TP53TSHRALDH1A1CYP3A4SMN1; SMN2
SCHEMBL4648034 0.79 ALDH1A1 (0.60) TP53TSHRALDH1A1CYP3A4SMN1; SMN2
SCHEMBL21623608 0.77 PPARA (0.48) TP53TSHRALDH1A1CYP3A4SMN1; SMN2
SCHEMBL24117325 0.77 ENPP2 (0.35) PPARAPPARGSPHK2SPHK1MEN1
SCHEMBL24117329 0.77 ENPP2 (0.39) PPARAPPARGSPHK2SPHK1MEN1
SCHEMBL8507559 0.76 TP53 (0.64) TP53TSHRALDH1A1CYP3A4SMN1; SMN2

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-11492317-B2 Synthesis of bio-based polyols from epoxidized cardanol and epoxidized triglyceride by using thiol-containing reagents THE UNIVERSITY OF AKRON (US) 2022-11-08 — — US disclosed
US-20200347001-A1 Synthesis of Bio-Based Polyols from Epoxidized Cardanol and Epoxidized Triglyceride by Using Thiol-Containing Reagents THE UNIVERSITY OF AKRON 2020-11-05 — — 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 (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-20200347001-A1 Synthesis of Bio-Based Polyols from Epoxidized Cardanol and Epoxidized Triglyceride by Using Thiol-Containing Reagents GSTO1, FDFT1, DGAT2 TP53 2635/4885TSHR 4602/4885ALDH1A1 632/4885
US-11492317-B2 Synthesis of bio-based polyols from epoxidized cardanol and epoxidized triglyceride by using thiol-containing reagents GSTO1, FDFT1, DGAT2 TP53 2635/4885TSHR 4602/4885ALDH1A1 632/4885

“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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