SCHEMBL18873597

SCHEMBL18873597

C=CC(=O)OCCCOc1ccc(-c2ccc(CO)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.55
▸ TSHR P16473 5/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ PPARG P37231 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ PTGER4 P35408 1/20 0.40
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TP53 P04637 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ RARB P10826 3/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38

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
SCHEMBL12172631 0.92 THRB (0.63) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL5043163 0.91 TSHR (0.59) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL17716764 0.89 THRB (0.69) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL12172632 0.89 THRB (0.63) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL14400694 0.88 THRB (0.58) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL13289971 0.88 TSHR (0.63) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL12172633 0.88 TSHR (0.63) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL723159 0.88 TSHR (0.63) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL14907526 0.88 TSHR (0.63) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL16893759 0.87 THRB (0.69) THRBTSHRHPGDALDH1A1CYP3A4

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-10919870-B2 Polymerizable compound and optically anisotropic body DIC CORPORATION (JP) 2021-02-16 — — US disclosed
US-10428032-B2 Polymerizable compound and optically anisotropic body DIC CORPORATION (JP) 2019-10-01 — — US disclosed
US-10253125-B2 Polymerizable liquid crystal composition and optically anisotropic body, retardation film, and patterned retardation film using the same DIC CORPORATION (JP) 2019-04-09 — — US disclosed
US-20170158793-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND OPTICALLY ANISOTROPIC BODY, RETARDATION FILM, AND PATTERNED RETARDATION FILM USING THE SAME DIC CORPORATION (JP) 2017-06-08 — — US disclosed
US-20170158793-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND OPTICALLY ANISOTROPIC BODY, RETARDATION FILM, AND PATTERNED RETARDATION FILM USING THE SAME DIC CORPORATION (JP) 2017-06-08 — — US disclosed
WO-2017079867-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-05-18 — — 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-10919870-B2 Polymerizable compound and optically anisotropic body ZYX, ZW10, DPY30 THRB 4689/4885TSHR 4662/4885HPGD 4284/4885
US-10428032-B2 Polymerizable compound and optically anisotropic body CCNY, F12, CCNI THRB 4837/4885TSHR 4697/4885HPGD 2296/4885

“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.

Send feedback