SCHEMBL5138904

SCHEMBL5138904

O=Cc1ccc2ccccc2c1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALOX5 P09917 1/20 0.44
ELANE P08246 1/20 0.42
MAOB P27338 2/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
MAOA P21397 1/20 0.42
PDE5A O76074 1/20 0.40

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
SCHEMBL6627731 0.82 KDM4E (0.48) RAB9ANPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL28877513 0.80 CCNB2 (0.53) RAB9ANPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL9748117 0.78 ERN1 (0.47) RAB9ANPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL29052130 0.78 ERN1 (0.47) RAB9ANPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL5839420 0.78 CCNB2 (0.51) RAB9ANPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL8859833 0.77 NPC1 (0.62) RAB9ANPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL29097577 0.76 RAB9A (0.49) RAB9ANPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL26993299 0.76 L3MBTL1 (0.49) RAB9ANPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL26905254 0.76 NPC1 (0.49) RAB9ANPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL2383306 0.76 MAOB (0.52) RAB9ANPC1MAPTSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP disclosed
EP-1432695-A1 A PROCESS FOR THE STEREOSELECTIVE SYNTHESIS OF 2-HYDROXYMETHYL-CHROMANS Wyeth (US) 2004-06-30 EP disclosed
US-6700001-B2 USEFUL AS INTERMEDIATES TO DRUGS INCLUDING THOSE TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS; STEREOSPECIFIC CYCLIZATION OF AN OPTICALLY ACTIVE PHENOL COMPOUND WYETH 2004-03-02 US disclosed
US-6667322-B2 Useful for treatment of diseases such as obsessive compulsive disorder, panic attacks, anxiety, sexual dysfunction, eating disorders, obesity, addictive disorders WYETH 2003-12-23 US disclosed
US-20030105342-A1 Process for stereoselective synthesis of 2-hydroxymethyl chromans WYETH 2003-06-05 US disclosed
US-20030100579-A1 Antidepressant chroman and chromene derivatives of 3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole WYETH 2003-05-29 US disclosed
WO-2003031439-A1 ANTIDEPRESSANT CHROMAN AND CHROMENE DERIVATIVES OF 3-(1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-1H-INDOLE WYETH (US) 2003-04-17 WO disclosed
WO-2003031429-A1 A PROCESS FOR THE STEREOSELECTIVE SYNTHESIS OF 2-HYDROXYMETHYL-CHROMANS WYETH (US) 2003-04-17 WO disclosed
EP-0201071-B1 2-SUBSTITUTED-1-NAPHTHOLS AS 5-LIPOXYGENASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-03-04 EP disclosed
US-5026759-A Antiinflammatory agents respiratory system disorders DU PONT MERCK PHARMACEUTICAL (US) 1991-06-25 US disclosed
US-4985442-A ANTIINFLAMMATORY, LUNG DISEASES, PSORIASIS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-15 US disclosed
US-4985435-A TREATMENT OF INFLAMMATION, OBSTRUCTIVE LUNG DISEASES AND PSORIASIS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-15 US disclosed
US-4906636-A 2-Substituted-1-naphthols as 5-lipoxygenase inhibitors E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-06 US disclosed
US-4833164-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-05-23 US disclosed
EP-0201071-A2 2-Substituted-1-naphthols as 5-lipoxygenase inhibitors THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1986-11-12 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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 RAB9A 3734/4885NPC1 2819/4885MAPT 4642/4885
US-20030105342-A1 Process for stereoselective synthesis of 2-hydroxymethyl chromans CYP2S1, CYP1B1, CYP1A2 RAB9A 1087/4885NPC1 3917/4885MAPT 4787/4885
US-20030100579-A1 Antidepressant chroman and chromene derivatives of 3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole TPH1, HTR1D, HTR1A RAB9A 2298/4885NPC1 2275/4885MAPT 2507/4885

“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.