SCHEMBL133399

SCHEMBL133399

[CH2]CCCCc1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.58
CYP1A2 P05177 2/20 0.56
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
CYP2A6 P11509 1/20 0.50
HRH3 Q9Y5N1 1/20 0.47
MC4R P32245 1/20 0.44
MC5R P33032 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
HSP90AB1 P08238 1/20 0.44
SLC6A4 P31645 1/20 0.44
NAAA Q02083 1/20 0.43
BCHE P06276 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL1610472 0.98 SIGMAR1 (0.56) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL1610345 0.98 SIGMAR1 (0.56) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL129049 0.98 SIGMAR1 (0.56) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL27523237 0.96 SIGMAR1 (0.54) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL1611323 0.94 SIGMAR1 (0.51) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL128560 0.94 SIGMAR1 (0.59) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL1612447 0.92 SIGMAR1 (0.50) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL1611043 0.92 SIGMAR1 (0.50) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL1610204 0.92 SIGMAR1 (0.50) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL30418669 0.89 SIGMAR1 (0.68) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023023513-A9 STABILIZATION OF OLIGONUCLEOTIDE AND OLIGONUCLEOTIDE-PROTEIN COMPLEX USING ALKYLATED PHOSPHATE UNIVERSITY OF MASSACHUSETTS (US) 2023-06-01 WO claimed
WO-2023023513-A1 STABILIZATION OF OLIGONUCLEOTIDE AND OLIGONUCLEOTIDE-PROTEIN COMPLEX USING ALKYLATED PHOSPHATE UNIVERSITY OF MASSACHUSETTS (US) 2023-02-23 WO claimed
CN-102264740-B Pyrrolo [ 1, 2 -b] pyridazine derivatives and their use as hif modulators FIBROGEN, INC. (US) 2014-10-15 CN claimed
US-7365174-B2 Azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-29 US claimed
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-22 US claimed
EP-1661904-A1 NOVEL AZALIDE AND AZALACTAM DERIVATIVES AND PROCESS FOR THE PRODUCTION OF THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2006-05-31 EP claimed
US-20240065267-A1 PLANT DISEASE CONTROL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASE BY APPLYING THE SAME MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2024-02-29 US disclosed
US-11805779-B2 Plant disease control composition and method for controlling plant disease by applying the same MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2023-11-07 US disclosed
WO-2023023513-A9 STABILIZATION OF OLIGONUCLEOTIDE AND OLIGONUCLEOTIDE-PROTEIN COMPLEX USING ALKYLATED PHOSPHATE UNIVERSITY OF MASSACHUSETTS (US) 2023-06-01 WO disclosed
WO-2023023513-A1 STABILIZATION OF OLIGONUCLEOTIDE AND OLIGONUCLEOTIDE-PROTEIN COMPLEX USING ALKYLATED PHOSPHATE UNIVERSITY OF MASSACHUSETTS (US) 2023-02-23 WO 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-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0425134-A1 Condensed pyrrolo derivatives, process for their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-05-02 EP disclosed
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 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 (4 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-20240065267-A1 PLANT DISEASE CONTROL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASE BY APPLYING THE SAME SNX1, HAX1, BROX SIGMAR1 2455/4885CYP1A2 1513/4885HDAC1 776/4885
US-20220177509-A1 PRODUCTION OF BRIDGED ARTIFICIAL NUCLEOSIDES TYMP, PNP, TYMS SIGMAR1 4173/4885CYP1A2 1206/4885HDAC1 2022/4885
US-11805779-B2 Plant disease control composition and method for controlling plant disease by applying the same SNX1, HAX1, BROX SIGMAR1 2455/4885CYP1A2 1513/4885HDAC1 776/4885
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same BCL6, NR4A1, NR4A2 SIGMAR1 675/4885CYP1A2 583/4885HDAC1 166/4885

“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.