SCHEMBL4697791

SCHEMBL4697791

CC(=Cc1ccc(C)cc1)CCl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
MDM2 Q00987 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 1/20 0.38
PTGS2 P35354 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NFE2L2 Q16236 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL11048028 1.00 CYP2A6 (0.39) CYP2A6RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4697789 1.00 CYP2A6 (0.39) CYP2A6RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL10986454 0.81 TRPA1 (0.47) MAPTNPSR1PTGS2CYP2C9CYP2C19
SCHEMBL5226682 0.81 CAPN1 (0.41) SMN1; SMN2KDM4ECYP2C9ALDH1A1TRPA1
SCHEMBL5226684 0.81 CAPN1 (0.41) SMN1; SMN2KDM4ECYP2C9ALDH1A1TRPA1
SCHEMBL10986457 0.81 TRPA1 (0.47) MAPTNPSR1PTGS2CYP2C9CYP2C19
SCHEMBL1758165 0.80 CYP2A6 (0.41) CYP2A6RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5655352 0.80 ALDH1A1 (0.48) RAB9ANPC1SMN1; SMN2TDP1KDM4E
SCHEMBL1758882 0.80 CYP2A6 (0.41) CYP2A6RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5655358 0.80 ALDH1A1 (0.48) RAB9ANPC1SMN1; SMN2TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346988-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2,3-DIHYDRO- BENZOFURAN COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-11-12 EP disclosed
US-7420070-B2 Process for preparing optically active 2,3-dihydrobenzofuran compounds TAKODA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-02 US disclosed
US-20050171184-A1 Process for preparing optically active 2,3-dihydrobenzofuran compounds AOKI ISAO (JP) 2005-08-04 US disclosed
US-6878831-B2 Process for preparing optically active 2,3-dihydrobenzofuran compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-04-12 US disclosed
US-6872718-B1 Tricyclic dihydrobenzofuran derivatives, process for the preparation thereof and agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-29 US disclosed
EP-1211253-B1 TRICYCLIC DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-10-13 EP disclosed
US-20040077712-A1 Process for preparing optically active 2,3-dihydrobenzofuran compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US disclosed
EP-1346988-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2,3-DIHYDRO- BENZOFURAN COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-09-24 EP disclosed
EP-1211253-A1 TRICYCLIC DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS Takeda Chemical Industries, Ltd. (JP) 2002-06-05 EP disclosed
EP-0108627-A2 Cephalosporin derivatives and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-16 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-20050171184-A1 Process for preparing optically active 2,3-dihydrobenzofuran compounds ALDH1A2, DHPS, DHODH CYP2A6 492/4885RAB9A 1286/4885NPC1 1285/4885
US-20040077712-A1 Process for preparing optically active 2,3-dihydrobenzofuran compounds ALDH1A2, PARK7, DHPS CYP2A6 743/4885RAB9A 1036/4885NPC1 1165/4885

“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.