SCHEMBL4186000

SCHEMBL4186000

CCCCCCCc1cnc(-c2ccc(C(=O)O)cc2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 12/20 1.00
▸ RAB9A P51151 3/20 0.71
▸ SMN1; SMN2 Q16637 3/20 0.71
▸ NPC1 O15118 2/20 0.71
▸ NFKB1 P19838 1/20 0.71
▸ NFKB2 Q00653 1/20 0.71
▸ RELA Q04206 1/20 0.71
▸ MEN1 O00255 2/20 0.70
▸ ALDH1A1 P00352 2/20 0.70
▸ MAPT P10636 2/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ RARA P10276 1/20 0.70
▸ MTOR P42345 1/20 0.70
▸ KDM4E B2RXH2 1/20 0.58
▸ USP2 O75604 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ TP53 P04637 2/20 0.56
▸ TSHR P16473 1/20 0.51

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
SCHEMBL8371650 1.00 RARB (1.00) RARBRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL9734086 1.00 RARB (1.00) RARBRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL9733644 1.00 RARB (1.00) RARBRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL9744977 1.00 RARB (1.00) RARBRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL8534144 1.00 RARB (1.00) RARBRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL5687511 1.00 RARB (1.00) RARBRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL9817507 1.00 RARB (1.00) RARBRAB9ASMN1; SMN2NPC1NFKB1
Hydrochloric Acid SCHEMBL9323786 0.99 RARB (0.97) RARBRAB9ASMN1; SMN2NPC1NFKB1
Hydrochloric Acid SCHEMBL9744777 0.99 RARB (0.97) RARBRAB9ASMN1; SMN2NPC1NFKB1
Hydrochloric Acid SCHEMBL9746644 0.99 RARB (0.97) RARBRAB9ASMN1; SMN2NPC1NFKB1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220297-B1 NITROGEN-CONTAINING HETEROCYCLES MERCK PATENT GmbH (DE) 1991-12-11 — — EP claimed
JP-4247076-A — — None — — JP disclosed
JP-4266876-A — — None — — JP disclosed
US-20090176837-A1 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS SONY CORPORATION (JP) 2009-07-09 — — US disclosed
EP-1907347-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS Arcadia Pharmaceuticals Inc. (US) 2008-04-09 — — EP disclosed
WO-2007009083-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2007-01-18 — — WO disclosed
US-5389290-A Ferroelectric liquid crystalline materials MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 — — US disclosed
EP-0440134-B1 Mesomorphic compound, liquid crystal composition containing same, liquid crystal device using same and display apparatus CANON KK (JP) 1994-09-21 — — EP disclosed
US-5217644-A MESOMORPHIC COMPOUND, LIQUID CRYSTAL COMPOSITION CONTAINING SAME, LIQUID CRYSTAL DEVICE USING SAME AND DISPLAY APPARATUS CANON KABUSHIKI KAISHA (JP) 1993-06-08 — — US disclosed
US-5167857-A Optically active, optical modulation CANON KABUSHIKI KAISHA (JP) 1992-12-01 — — US disclosed
EP-0258430-A1 NEMATIC LIQUID CRYSTAL PHASES MERCK PATENT GmbH (DE) 1988-03-09 — — EP disclosed
WO-1987005316-A1 NEMATIC LIQUID CRYSTAL PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-09-11 — — WO disclosed
EP-0227717-A1 NITROGEN-CONTAINING HETEROCYCLIC ESTERS. MERCK PATENT GMBH (DE) 1987-07-08 — — EP disclosed
EP-0220297-A1 NITROGEN-CONTAINING HETEROCYCLES. MERCK PATENT GMBH (DE) 1987-05-06 — — EP disclosed
EP-0220254-A1 BENZONITRILES. MERCK PATENT GMBH (DE) 1987-05-06 — — EP disclosed
WO-1986007055-A1 NITROGEN-CONTAINING HETEROCYCLIC ESTERS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-12-04 — — WO disclosed
WO-1986006372-A1 BENZONITRILE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-11-06 — — WO disclosed
WO-1986006373-A1 NITROGEN-CONTAINING HETEROCYCLES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-11-06 — — WO disclosed
EP-0175591-A2 Lactic acid derivative, liquid crystal composition containing same and liquid crystal device CANON KABUSHIKI KAISHA (JP) 1986-03-26 — — EP disclosed
US-4460770-A Liquid crystal mixture HOFFMANN-LA ROCHE INC. (US) 1984-07-17 — — 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-20090176837-A1 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS RARB, RARA, RARG RARB 1/4885RAB9A 103/4885SMN1; SMN2 1804/4885

“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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