SCHEMBL4770223

SCHEMBL4770223

OB(O)Oc1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 1/20 0.46
▸ S1PR5 Q9H228 1/20 0.46
▸ FFAR1 O14842 7/20 0.46
▸ PPARD Q03181 5/20 0.46
▸ ERN1 O75460 1/20 0.46
▸ MRGPRX4 Q96LA9 4/20 0.45
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ SCN9A Q15858 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ ALOX5 P09917 1/20 0.41

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
SCHEMBL4770265 0.82 THRA (0.44) LIPELMNACYP1A2PTGS1SLC6A2
SCHEMBL30711914 0.81 SMPD1 (0.56) LIPEMRGPRX4LMNAHDAC6NPC1
SCHEMBL27882779 0.80 MAOB (0.58) FFAR1PPARDERN1
SCHEMBL28092972 0.80 MRGPRX4 (0.49) LIPEMRGPRX4LMNACYP1A2PTGS1
SCHEMBL31464123 0.79 ALOX5 (0.49) LIPELMNACYP1A2PTGS1SLC6A2
SCHEMBL1331697 0.79 MAOB (0.65) —
SCHEMBL1516640 0.79 S1PR5 (0.45) S1PR5FFAR1PPARDERN1MRGPRX4
SCHEMBL29954345 0.79 LIPE (0.53) LIPES1PR5ERN1MRGPRX4NPC1
SCHEMBL212034 0.79 LIPE (0.53) LIPES1PR5ERN1MRGPRX4NPC1
SCHEMBL1128493 0.79 FFAR1 (0.59) FFAR1PPARDMRGPRX4ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190203122-A1 SPONTANEOUS ORIENTATION AID FOR LIQUID CRYSTAL COMPOSITION, COMPOUND SUITABLE FOR SAID SPONTANEOUS ORIENTATION AID, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT DIC CORPORATION (JP) 2019-07-04 — — US disclosed
EP-3467073-A1 SPONTANEOUS ORIENTATION AID FOR LIQUID CRYSTAL COMPOSITION, COMPOUND SUITABLE FOR SAID SPONTANEOUS ORIENTATION AID, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT DIC Corporation (JP) 2019-04-10 — — EP disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 — — EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 — — US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 — — US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 — — US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 — — US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 — — US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 — — EP 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 (3 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 LIPE 4686/4885S1PR5 1863/4885FFAR1 2494/4885
US-20190203122-A1 SPONTANEOUS ORIENTATION AID FOR LIQUID CRYSTAL COMPOSITION, COMPOUND SUITABLE FOR SAID SPONTANEOUS ORIENTATION AID, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT SKP1, SIK1, MINK1 LIPE 3816/4885S1PR5 2132/4885FFAR1 857/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 LIPE 4591/4885S1PR5 1803/4885FFAR1 1617/4885

“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