SCHEMBL24378026

SCHEMBL24378026

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2)ccc1OCCC(CO)(CO)CCC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.31
TSHR P16473 2/20 0.31
PTPN11 Q06124 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
RAB9A P51151 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
DGAT1 O75907 1/20 0.30

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
SCHEMBL21400933 0.97 DGAT1 (0.32) CYP2C9TSHRPTPN11PPARDPPARA
SCHEMBL18646686 0.96
SCHEMBL21232349 0.95 PPARD (0.30) PPARD
SCHEMBL18646681 0.93
SCHEMBL18646386 0.92
SCHEMBL21232272 0.92 PPARD (0.30) PPARD
SCHEMBL20171654 0.92 PPARG (0.32) TSHRPPARDPPARACNR1CNR2
SCHEMBL21231954 0.91 TSHR (0.30) TSHR
SCHEMBL21115409 0.91
SCHEMBL19007877 0.91 TSHR (0.34) CYP2C9TSHRPTPN11PPARDPPARA

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-11685863-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2023-06-27 US disclosed
US-20220127532-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2022-04-28 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-20220127532-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS LPXN, VCL, LCP1 CYP2C9 3437/4885TSHR 4868/4885PTPN11 564/4885
US-11685863-B2 Polymerisable compounds and the use thereof in liquid-crystal displays LPXN, VCL, LCP1 CYP2C9 3437/4885TSHR 4868/4885PTPN11 564/4885

“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.