SCHEMBL12823950

SCHEMBL12823950

CCCC(O)c1ccc(-c2ccc(-c3ccc(C(=O)Oc4ccc(O)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.36
▸ ACR P10323 1/20 0.36
▸ NR1H4 Q96RI1 2/20 0.35
▸ ANPEP P15144 1/20 0.35
▸ APP P05067 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MCL1 Q07820 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CYP17A1 P05093 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ SHBG P04278 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ POLB P06746 1/20 0.32

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
SCHEMBL12823113 0.94 ANPEP (0.37) PRSS1ACRANPEPAPPCYP2C19
SCHEMBL12822961 0.87 KDM4E (0.39) ANPEPAPPCYP2C19KDM4ELMNA
SCHEMBL12823514 0.85 CYP17A1 (0.38) ANPEPAPPCYP2C19MCL1KDM4E
SCHEMBL12822564 0.84 MAPT (0.33) APPCYP2C19HSD17B10AKR1C3AKR1C2
SCHEMBL12823475 0.83 EGFR (0.32) EGFRMAPT
SCHEMBL12823697 0.83 EGFR (0.32) EGFRMAPT
SCHEMBL12823722 0.83 MAPT (0.40) FAAHMAPT
SCHEMBL12823955 0.82 FAAH (0.33) ADRB3FAAHMAPT
SCHEMBL12823717 0.82 TAS1R3 (0.36) PRSS1APPCYP2C19FAAH
SCHEMBL12823597 0.81 ADRB3 (0.40) MCL1KDM4EADRB3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — 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 (1 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 PRSS1 3434/4885ACR 2487/4885NR1H4 1534/4885

“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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