SCHEMBL1007565

SCHEMBL1007565

C#Cc1ccc(OCCCC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.53
NR5A1 Q13285 1/20 0.52
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
TSHR P16473 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL949228 0.96 NR5A1 (0.58) LTA4HNR5A1TSHRRAB9AGAA
SCHEMBL948700 0.94 NR5A1 (0.61) LTA4HNR5A1TSHRRAB9AGAA
SCHEMBL10993242 0.94 CYP2D6 (0.59) LTA4HCYP3A4CYP2D6RAB9ACYP1A2
SCHEMBL4748828 0.94 NR5A1 (0.61) LTA4HNR5A1TSHRRAB9AGAA
SCHEMBL3924421 0.94 NR5A1 (0.61) LTA4HNR5A1TSHRRAB9AGAA
SCHEMBL2832393 0.94 NR5A1 (0.61) LTA4HNR5A1TSHRRAB9AGAA
SCHEMBL9706419 0.94 NR5A1 (0.61) LTA4HNR5A1TSHRRAB9AGAA
SCHEMBL946779 0.94 NR5A1 (0.61) LTA4HNR5A1TSHRRAB9AGAA
SCHEMBL163688 0.91 LTA4H (0.52) LTA4HCYP2D6CA12CA1CA2
SCHEMBL10987443 0.91 CYP2D6 (0.56) LTA4HNR5A1CYP3A4CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3156388-B1 LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLANE BACKBONE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2019-01-30 EP disclosed
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2018-11-22 US disclosed
US-9879183-B2 Liquid crystal compound having CF2O bonding group and tolan skeleton, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-01-30 US disclosed
US-9879183-B2 Liquid crystal compound having CF2O bonding group and tolan skeleton, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-01-30 US disclosed
EP-2440245-B1 BENZONAPHTHYRIDINE-CONTAINING VACCINES GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-12-06 EP disclosed
US-9649373-B2 Neoseptins: small molecule adjuvants THE SCRIPPS INSTITUTE (US) 2017-05-16 US disclosed
US-20170107427-A1 LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLAN SKELETON, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-04-20 US disclosed
US-20170107427-A1 LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLAN SKELETON, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-04-20 US disclosed
EP-3156388-A1 LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLANE BACKBONE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-04-19 EP disclosed
EP-2512478-B1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-04-19 EP disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO disclosed
EP-0597701-B1 Conjugated enyne derivative and liquid crystal composition CHISSO CORP (JP) 1997-04-16 EP disclosed
US-5370819-A Low viscosity CHISSO CORPORATION (JP) 1994-12-06 US disclosed
EP-0597701-A1 Conjugated enyne derivative and liquid crystal composition CHISSO CORPORATION (JP) 1994-05-18 EP disclosed
US-5242618-A Liquid crystals MERCK PATENT GESELLSCHAFT (DE) 1993-09-07 US disclosed
EP-0374849-A2 Liquid-crystal derivatives of nitrogen-containing heterocyclic compounds as components of a liquid-crystal material, and a liquid-crystal material PAVLJUCHENKO, Assya Iosifovna (RU) 1990-06-27 EP disclosed
US-4720567-A Novel diacetylenic and polydiacetylenic compositions HOECHST CELANESE CORPORATION (US) 1988-01-19 US disclosed
US-4711532-A Novel diacetylenic and polydiacetylenic compositions HOECHST CELANESE CORPORATION (US) 1987-12-08 US disclosed
US-4703096-A Novel diacetylenic and polydiacetylenic compositions CELANESE CORPORATION (US) 1987-10-27 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 (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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 LTA4H 1141/4885NR5A1 460/4885CYP3A4 13/4885
US-20170107427-A1 LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLAN SKELETON, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, TLN1, TCOF1 LTA4H 1298/4885NR5A1 3423/4885CYP3A4 2658/4885
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF HAMP, MAVS, MYD88 LTA4H 2416/4885NR5A1 2565/4885CYP3A4 729/4885

“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.