SCHEMBL2033989

SCHEMBL2033989

O=C(Cl)C=Cc1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.68
F3 P13726 2/20 0.68
CYP2C9 P11712 2/20 0.68
CYP2D6 P10635 1/20 0.68
HSD11B1 P28845 1/20 0.68
AKR1B1 P15121 3/20 0.65
CA12 O43570 3/20 0.65
CA1 P00915 3/20 0.65
CA2 P00918 3/20 0.65
CA7 P43166 3/20 0.65
CA9 Q16790 3/20 0.65
CA14 Q9ULX7 3/20 0.65
ESR1 P03372 3/20 0.65
ESR2 Q92731 3/20 0.65
AKR1B10 O60218 2/20 0.65
PKM P14618 2/20 0.65
CA3 P07451 1/20 0.65
CA4 P22748 1/20 0.65
CA6 P23280 1/20 0.65
DPP4 P27487 1/20 0.65

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
SCHEMBL7871863 1.00 TYR (0.68) TYRF3CYP2C9CYP2D6HSD11B1
SCHEMBL2266597 0.91 CYP1A2 (0.56) TYRF3CYP2C9CYP2D6HSD11B1
SCHEMBL2266594 0.91 CYP1A2 (0.56) TYRF3CYP2C9CYP2D6HSD11B1
Phenol SCHEMBL2476801 0.85 MAPT (0.59) TYRF3CYP2C9CYP2D6HSD11B1
SCHEMBL1608463 0.82 CYP1A2 (0.72) MAOBCXCL12CYP3A4KMT2AMMP1
SCHEMBL11190511 0.82 KMT2A (0.50) TYRF3CYP2C9CYP2D6HSD11B1
SCHEMBL11190484 0.82 KMT2A (0.50) TYRF3CYP2C9CYP2D6HSD11B1
SCHEMBL1608460 0.82 CYP1A2 (0.72) MAOBCXCL12CYP3A4KMT2AMMP1
SCHEMBL3580956 0.81 TYR (1.00) TYRF3CYP2C9CYP2D6HSD11B1
SCHEMBL2198475 0.81 TYR (1.00) TYRF3CYP2C9CYP2D6HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110878073-B Aromatic acid DDMP diester sweetener, preparation method and application 河南中烟工业有限责任公司 2023-06-20 CN claimed
CN-107382710-A A kind of polyalcohol for being grafted antioxygen agent molecule 中国铁道科学研究院铁道建筑研究所 2017-11-24 CN claimed
CN-110878073-B Aromatic acid DDMP diester sweetener, preparation method and application 河南中烟工业有限责任公司 2023-06-20 CN disclosed
CN-115974687-A Preparation method of hydroquinone ester derivative with tyrosinase inhibitory activity 西南林业大学 2023-04-18 CN disclosed
CN-109651253-B Phenylpropanoid ester derivative and application thereof as neuroprotective medicament 上海医药工业研究院 2022-03-25 CN disclosed
CN-111057036-B Coumarin derivative and preparation method and application thereof 五邑大学 2021-10-08 CN disclosed
CN-111057036-A Coumarin derivative and preparation method and application thereof 五邑大学 2020-04-24 CN disclosed
CN-110878073-A Aromatic acid DDMP diester sweetener, preparation method and application 河南中烟工业有限责任公司 2020-03-13 CN disclosed
CN-109651253-A Cinnamic acid ester derivant and its application as nerve protection medicine 上海医药工业研究院 2019-04-19 CN disclosed
CN-107382710-A A kind of polyalcohol for being grafted antioxygen agent molecule 中国铁道科学研究院铁道建筑研究所 2017-11-24 CN disclosed
US-7968572-B2 Nitrogen-containing heterocyclic compound and pharmaceutical application thereof ONO PHARMACEUTICALS CO., LTD. (JP) 2011-06-28 US disclosed
US-20100063104-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2010-03-11 US disclosed
EP-1932840-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-18 EP disclosed
EP-0702260-B1 Compensator for a liquid crystal display NIPPON MITSUBISHI OIL CORP (JP) 2001-11-21 EP disclosed
EP-0659796-B1 Liquid crystalline polyesters NIPPON OIL CO LTD (JP) 1999-03-17 EP disclosed
US-5599478-A Compensator for a liquid crystal display NIPPON OIL COMPANY, LIMITED (JP) 1997-02-04 US disclosed
EP-0702260-A1 Compensator for a liquid crystal display NIPPON OIL CO. LTD. (JP) 1996-03-20 EP disclosed
US-5432249-A Liquid crystalline polyesters NIPPON OIL COMPANY, LIMITED (JP) 1995-07-11 US disclosed
EP-0659796-A2 Liquid crystalline polyesters NIPPON OIL COMPANY, LIMITED (JP) 1995-06-28 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 (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-20100063104-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF NOS2, NOS1, MAPK1 TYR 2713/4885F3 1699/4885CYP2C9 403/4885

“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.