SCHEMBL537178

SCHEMBL537178

[CH2]C(CC)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SLC6A4 P31645 1/20 0.44
AOC3 Q16853 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.40
CYP2A6 P11509 1/20 0.40
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
ADRA1A P35348 2/20 0.39
ACP3 P15309 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL537417 0.85 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL1487675 0.83 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL1060949 0.82 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL1610469 0.80 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL28411073 0.79 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL21409565 0.79 SLC6A4 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL2126034 0.79 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL23174666 0.79 KDM4E (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL1610343 0.79 KDM4E (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL28188133 0.79 KDM4E (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1738829-B New 2',5'-oligoadenylic acid analog SANKYO CO 2012-11-28 CN claimed
CN-110437046-B Fluorine atom-containing polymer and field of use thereof 日产化学工业株式会社 2022-08-16 CN disclosed
US-20220177509-A1 PRODUCTION OF BRIDGED ARTIFICIAL NUCLEOSIDES NIPPON SHOKUBAI CO., LTD. (JP) 2022-06-09 US disclosed
EP-3950696-A1 MANUFACTURING OF BRIDGED ARTIFICIAL NUCLEOSIDE Nippon Shokubai Co., Ltd. (JP) 2022-02-09 EP disclosed
CN-113710680-A Preparation of cross-linked artificial nucleosides 株式会社日本触媒 2021-11-26 CN disclosed
EP-3239111-B1 CURABLE COMPOSITION, TRANSFER FILM, FRONT PLATE OF IMAGE DISPLAY DEVICE, FRONT PLATE-INTEGRATED SENSOR, IMAGE DISPLAY DEVICE, AND MANUFACTURING METHOD FOR FRONT PLATE OF IMAGE DISPLAY DEVICE FUJIFILM CORP (JP) 2021-02-17 EP disclosed
WO-2020204022-A1 MANUFACTURING OF BRIDGED ARTIFICIAL NUCLEOSIDE 株式会社日本触媒 2020-10-08 WO disclosed
CN-111500249-A Low-dielectric-property low-water-absorption halogen-free copper-clad plate and preparation method thereof 山东金宝电子股份有限公司 2020-08-07 CN disclosed
EP-3018125-B1 NOVEL COMPOUND, ORGANIC CATION TRANSPORTER 3 DETECTION AGENT, AND ORGANIC CATION TRANSPORTER 3 ACTIVITY INHIBITOR SHIN NIPPON BIOMEDICAL LABORATORIES LTD (JP) 2020-08-05 EP disclosed
CN-107406584-B Fluorine atom-containing polymer and field of use thereof 日产化学工业株式会社 2020-06-09 CN disclosed
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
CN-1030415-A Saturated heterocycle carboxamide derivatives and its preparation method YAMANOUCHI PHARMA CO LTD (JP) 1989-01-18 CN disclosed
US-4783562-A Process for the preparation of trichloromethyl-substituted aromatic compounds, and trichloromethyl-substituted aromatic compounds obtained in this process BAYER AKTIENGESELLSCHAFT (DE) 1988-11-08 US disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP disclosed
CN-86104313-A The preparation method of Imidazoheterocyclic compounds 1987-03-04 CN disclosed
EP-0061029-B1 PROCESS FOR THE PREPARATION OF TRICHLOROMETHYL-SUBSTITUTED AROMATIC COMPOUNDS BAYER AG (DE) 1986-01-08 EP disclosed
EP-0061029-A1 Process for the preparation of trichloromethyl-substituted aromatic compounds BAYER AG (DE) 1982-09-29 EP disclosed
US-4104036-A TO IMPROVE OCTANE RATING ATLANTIC RICHFIELD COMPANY (US) 1978-08-01 US disclosed
US-4053478-A ARTERIOSCLEROSIS, THROMBOSIS, HYPERTENSION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) 1977-10-11 US disclosed
US-4012412-A USEFUL IN THE TREATMENT OF HYPERTENSION, ARTERIOSCLEROSIS, AND THROMBOSIS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) 1977-03-15 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 (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-20220177509-A1 PRODUCTION OF BRIDGED ARTIFICIAL NUCLEOSIDES TYMP, PNP, TYMS ALDH1A1 1539/4885CYP1A2 1206/4885CYP2C9 905/4885

“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.