SCHEMBL2732387

SCHEMBL2732387

OC1COc2ccccc2C1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.45
SIGMAR1 Q99720 2/20 0.42
MAOB P27338 5/20 0.41
TP53 P04637 2/20 0.41
HTR1A P08908 1/20 0.40
OXTR P30559 1/20 0.39
AOC2 O75106 2/20 0.39
MAOA P21397 2/20 0.39

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
SCHEMBL30440596 1.00 NISCH (0.45) NISCHSIGMAR1MAOBTP53HTR1A
SCHEMBL14395682 1.00 NISCH (0.45) NISCHSIGMAR1MAOBTP53HTR1A
SCHEMBL25082548 1.00 NISCH (0.45) NISCHSIGMAR1MAOBTP53HTR1A
Water SCHEMBL27491170 0.98 NISCH (0.44) NISCHSIGMAR1MAOBTP53HTR1A
SCHEMBL2832695 0.80 ABCG2 (0.57) NISCHMAOBHTR1AMAOA
SCHEMBL18100543 0.80 ABCG2 (0.57) NISCHMAOBHTR1AMAOA
SCHEMBL18100548 0.80 ABCG2 (0.57) NISCHMAOBHTR1AMAOA
Methane SCHEMBL8607471 0.79 MAP3K14 (0.42) NISCHSIGMAR1MAOBHTR1AOXTR
SCHEMBL23558482 0.77 LTB4R (0.40)
SCHEMBL10754929 0.75 NISCH (0.45) NISCHSIGMAR1MAOBTP53HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110183431-A One kind is for liver disease or the compound of prevention 江苏新元素医药科技有限公司 2019-08-30 CN claimed
US-20170260152-A1 2-(2,3-EPOXYPROPYL)PHENOL COMPOSITION AND METHOD OF MAKING SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2017-09-14 US claimed
EP-3186235-A2 2-(2,3-EPOXYPROPYL)PHENOL COMPOSITION AND METHOD OF MAKING SABIC Global Technologies B.V. (NL) 2017-07-05 EP claimed
CN-106660978-A 2-(2,3-epoxypropyl)phenol composition and method of making 沙特基础工业全球技术有限公司 2017-05-10 CN claimed
WO-2016032997-A2 2-(2,3-EPOXYPROPYL)PHENOL COMPOSITION AND METHOD OF MAKING SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2016-03-03 WO claimed
US-5071991-A METHOD OF PREPARING CHROMAN DERIVATIVES, AND SYNTHESIS INTERMEDIATES SANOFI (FR) 1991-12-10 US claimed
JP-59029682-A None JP disclosed
CN-118005595-B Synthesis and antitumor activity of chroman derivatives having allyl alcohol structure 内蒙古大学 2024-10-29 CN disclosed
CN-118005594-B Synthesis of 3-hydroxybenzodihydropyran derivative and antitumor activity thereof 内蒙古大学 2024-10-29 CN disclosed
CN-118005677-A Method for asymmetrically synthesizing chroman with three-level silyl ether structure by nickel catalysis 内蒙古大学 2024-05-10 CN disclosed
CN-118005680-A Synthesis method of chiral chroman with allyl silyl ether structure 内蒙古大学 2024-05-10 CN disclosed
CN-118005682-A Asymmetric synthesis method of chroman derivative with allyl silyl ether structure 内蒙古大学 2024-05-10 CN disclosed
CN-118005679-A Method for enantioselectively synthesizing chromane with allyl silyl ether structure 内蒙古大学 2024-05-10 CN disclosed
EP-0470176-A1 SUBSTITUTED 3-AMINO CHROMANS. UPJOHN CO (US) 1992-02-12 EP disclosed
US-5013853-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-05-07 US disclosed
CN-1043319-A New amine and uses thereof MITSUI PHARMACEUTICALS (JP) 1990-06-27 CN disclosed
EP-0120428-B1 BENZOPYRAN ISOMERS BEECHAM GROUP PLC (GB) 1990-05-23 EP disclosed
EP-0346724-A1 Chroman derivates MERCK PATENT GmbH (DE) 1989-12-20 EP disclosed
EP-0120428-A1 Benzopyran isomers BEECHAM GROUP PLC (GB) 1984-10-03 EP disclosed
JP-S5929682-A PREPARATION OF 3,4-DIHYDRO-2H-1-BENZOPYRAN-3-OL DERIVATIVE KOWA CO 1984-02-16 JP 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 (1 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-20170260152-A1 2-(2,3-EPOXYPROPYL)PHENOL COMPOSITION AND METHOD OF MAKING CYP2J2, HMOX2, PRDX2 NISCH 2159/4885SIGMAR1 2530/4885MAOB 476/4885

“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.