SCHEMBL5687511

SCHEMBL5687511

CCCCCCCCc1cnc(-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
SCHEMBL4186000 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
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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130172558-A1 NAPROXEN-BASED CHIRAL COMPOUNDS AND LIQUID CRYSTAL DISPLAY APPLICATIONS CITIZEN FINETECH MIYOTA CO., LTD. (JP) 2013-07-04 — — US disclosed
EP-1375627-B1 Optically active compound and liquid crystal composition containing the same MITSUBISHI GAS CHEMICAL CO (JP) 2006-03-29 — — EP disclosed
US-6699532-B2 CHIRAL DOPANT HAVING A HELICAL TWISTING POWER (HTP) OF AT LEAST 50 AND HAVING ITS INDUCED HELICAL PITCH DECREASING IN LENGTH WITH AN INCREASE IN TEMPERATURE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-03-02 — — US disclosed
US-20040007691-A1 OPTICALLY ACTIVE COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-01-15 — — US disclosed
EP-1375627-A1 Optically active compound and liquid crystal composition containing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-01-02 — — EP disclosed
EP-0821049-B1 Cyclopentyl compounds ROLIC AG (CH) 2001-01-10 — — EP disclosed
US-5759443-A Cyclopentyl derivatives ROLIC AG (CH) 1998-06-02 — — US disclosed
EP-0440061-B1 Mesomorphic compound, liquid crystal composition containing same, liquid crystal device using same and display apparatus CANON KK (JP) 1998-04-01 — — EP disclosed
EP-0821049-A1 Cyclopentyl compounds Rolic AG (CH) 1998-01-28 — — EP disclosed
EP-0315193-B1 Optically active compound and chiral liquid crystal composition containing the same NIPPON TELEGRAPH & TELEPHONE (JP) 1994-04-06 — — EP disclosed
EP-0409234-B1 Alpha-hydroxyketone derivatives, liquid crystal compositions containing said derivatives, and liquid crystal devices using said compositions CHISSO CORP (JP) 1994-02-16 — — EP disclosed
US-5284599-A Benzothiazole with alkyl group having asymmetric carbon connected to halogen; improved response CANON KABUSHIKI KAISHA (JP) 1994-02-08 — — US disclosed
US-5236619-A Benzothiazoles CANON KABUSHIKI KAISHA (JP) 1993-08-17 — — US disclosed
US-5164112-A Optical activity, ferroelectric, short response times CHISSO CORPORATION (JP) 1992-11-17 — — US disclosed
US-5059345-A Spontaneous polarization in wide temperature range and high speed response NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1991-10-22 — — US disclosed
EP-0440061-A1 Mesomorphic compound, liquid crystal composition containing same, liquid crystal device using same and display apparatus CANON KABUSHIKI KAISHA (JP) 1991-08-07 — — EP disclosed
EP-0409234-A2 Alpha-hydroxyketone derivatives, liquid crystal compositions containing said derivatives, and liquid crystal devices using said compositions Chisso Corporation (JP) 1991-01-23 — — EP disclosed
EP-0315193-A2 Optically active compound and chiral liquid crystal composition containing the same NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1989-05-10 — — 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 (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-20130172558-A1 NAPROXEN-BASED CHIRAL COMPOUNDS AND LIQUID CRYSTAL DISPLAY APPLICATIONS CRY1, CRY2, ALOX5 RARB 2088/4885RAB9A 4828/4885SMN1; SMN2 3451/4885
US-20040007691-A1 OPTICALLY ACTIVE COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE COMPOUND TOP1, ROCK1, SFRP1 RARB 2038/4885RAB9A 417/4885SMN1; SMN2 2274/4885

“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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