SCHEMBL536189

SCHEMBL536189

C[CH]Oc1ccccc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.65
CA2 P00918 3/20 0.65
CA7 P43166 2/20 0.65
CA9 Q16790 2/20 0.65
CA12 O43570 1/20 0.65
CA4 P22748 1/20 0.65
CA14 Q9ULX7 1/20 0.65
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NFE2L2 Q16236 4/20 0.47
TRPA1 O75762 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
ADRA2B P18089 1/20 0.46
PTGS1 P23219 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A1 P04798 3/20 0.46
CYP1A2 P05177 3/20 0.46

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
SCHEMBL10640652 0.82 CA1 (0.68) CA1CA2CA7CA9CA12
SCHEMBL16989325 0.81 CA1 (0.59) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL105872 0.81 CA1 (1.00) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL5308636 0.81 CA1 (1.00) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL29351917 0.81 CA1 (1.00) CA1CA2CA7CA9CA12
SCHEMBL7056824 0.79 SMN1; SMN2 (0.47) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL27829075 0.79 CA1 (0.72) CA1CA2CA7CA9CA12
SCHEMBL3021083 0.78 CA1 (0.62) CA1CA2CA7CA9CA12
SCHEMBL779616 0.78 CA1 (0.62) CA1CA2CA7CA9CA12
SCHEMBL30445994 0.78 CA1 (0.62) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266867-B2 Piperidinyl monocarboxylic acids as S1P1 receptor agonists BIOPROJET (FR) 2016-02-23 US claimed
EP-2697219-B1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET SOC CIV (FR) 2015-03-04 EP claimed
US-20140099316-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2014-04-10 US claimed
EP-2697219-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS Bioprojet (FR) 2014-02-19 EP claimed
WO-2012140020-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2012-10-18 WO claimed
EP-1220844-B1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2003-04-09 EP claimed
EP-1220844-A1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-07-10 EP claimed
US-6365584-B1 FOR PROPHYLAXIS AND THERAPY OF INFLAMMATORY AND/OR ALLERGIC DISEASES, LUNG FIBROSIS, FIBROSING ALVEOLITIS AND SCARRING, COLLAGENOSES SUCH AS LUPUS ERYTHEMATODES AND SCLERODERMIA AS WELL AS ARTERIOSCLEROSIS, PSORIASIS AND NEOPLASM BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-04-02 US claimed
WO-2001023360-A1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-05 WO claimed
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 EP claimed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 WO claimed
US-20200352917-A1 MEDICATED SPRAY FOR TREATMENT OF SUBSTANCE ABUSE, OVERDOSE, ADDICTION AND IMPULSE CONTROL DISORDERS GOOBERMAN LANCE L (US) 2020-11-12 US disclosed
CN-107827849-B 6- [ 2-hydroxy-3- (alkylamino) propoxy ] benzofuran compound and application thereof 沈阳药科大学 2020-06-02 CN disclosed
CN-107857748-B 5- [ 2-hydroxy-3- (alkylamino) propoxy ] benzofuran compound and application thereof 沈阳药科大学 2020-06-02 CN disclosed
US-10071976-B2 Small molecule fatty acid synthase inhibitors Sanford Burnham Prebys Medical Discovery Institute (US) 2018-09-11 US disclosed
US-4374841-A HYPOTENSIVE, ADRENERGIC BLOCKING, AND CARDIOTONIC AGENTS; CENTRAL DEPRESSANTS S. A. LABAZ N.V. (BE) 1983-02-22 US disclosed
EP-0008540-A2 2-aryl-1,3-indandione derivatives and compositions comprising them for controlling ectoparasitic acarina UNION CARBIDE CORPORATION (US) 1980-03-05 EP disclosed
US-4104043-A Esters of 3-hydroxyindone compounds as herbicides and miticides UNION CARBIDE CORPORATION (US) 1978-08-01 US disclosed
US-4091006-A MITICIDES AND HERBICIDES UNION CARBIDE CORPORATION (US) 1978-05-23 US disclosed
US-3941791-A OPTICAL BRIGHTENER BASF AKTIENGESELLSCHAFT (DT) 1976-03-02 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 (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-10071976-B2 Small molecule fatty acid synthase inhibitors FASN, FADS2, FADS1 CA1 3241/4885CA2 2320/4885CA7 2332/4885
US-20140099316-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 CA1 4104/4885CA2 3035/4885CA7 4780/4885

“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.