SCHEMBL499996

SCHEMBL499996

[CH2]CCCCCc1ccco1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
TDP1 Q9NUW8 2/20 0.67
USP2 O75604 1/20 0.67
HPGD P15428 1/20 0.67
CYP3A4 P08684 1/20 0.61
ALOX15 P16050 1/20 0.61
CHRM2 P08172 1/20 0.46
EPHX2 P34913 3/20 0.40
KCNH3 Q9ULD8 1/20 0.39
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ALOX5 P09917 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
SCHEMBL3391471 1.00 ALDH1A1 (0.67) ALDH1A1TDP1USP2HPGDCYP3A4
SCHEMBL3387052 1.00 ALDH1A1 (0.67) ALDH1A1TDP1USP2HPGDCYP3A4
SCHEMBL3389147 1.00 ALDH1A1 (0.67) ALDH1A1TDP1USP2HPGDCYP3A4
SCHEMBL3392080 1.00 ALDH1A1 (0.67) ALDH1A1TDP1USP2HPGDCYP3A4
SCHEMBL921220 0.98 ALDH1A1 (0.63) ALDH1A1TDP1USP2HPGDCYP3A4
SCHEMBL270348 0.91
SCHEMBL7093157 0.91 ALDH1A1 (0.70) ALDH1A1TDP1USP2HPGDCYP3A4
SCHEMBL7094868 0.89 ALDH1A1 (0.67) ALDH1A1TDP1USP2HPGDCYP3A4
SCHEMBL11060991 0.84 ALDH1A1 (0.61) ALDH1A1TDP1USP2HPGDCYP3A4
SCHEMBL270296 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP claimed
JP-54098767-A None JP disclosed
US-20230099694-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-03-30 US disclosed
US-20210052575-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-25 US disclosed
US-20200061056-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-02-27 US disclosed
US-20190167672-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-06-06 US disclosed
US-20180318294-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-11-08 US disclosed
US-20180092907-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-04-05 US disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
EP-0267024-A2 Hydrofluorene derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-05-11 EP disclosed
CN-87107217-A Method for preparation of pyrazolotriazine compounds 1988-05-11 CN disclosed
EP-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 EP disclosed
EP-0035228-B1 TETRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND ANTI-ULCER COMPOSITION CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-01-02 EP disclosed
US-4372953-A Tetrazole derivatives, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1983-02-08 US disclosed
US-4333940-A Ring-fluorinated 4-(monosubstituted-amino) phenyl compounds in inhibiting atherosclerotic lesion development AMERICAN CYANAMID COMPANY (US) 1982-06-08 US disclosed
EP-0035228-A1 Tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-09 EP disclosed
US-4243609-A ANTILIPEMIC AGENTS, ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-01-06 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP disclosed
JP-S5498767-A PREPARATION OF 3-HYDROXY-4-PYRONE COMPOUND SHIN ETSU CHEM CO LTD 1979-08-03 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 (6 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-20230099694-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 ALDH1A1 1257/4885TDP1 4048/4885USP2 3654/4885
US-20180318294-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 ALDH1A1 1257/4885TDP1 4048/4885USP2 3654/4885
US-20210052575-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, SULT2A1, CYP4Z1 ALDH1A1 1445/4885TDP1 4353/4885USP2 3513/4885
US-20200061056-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 ALDH1A1 1257/4885TDP1 4048/4885USP2 3654/4885
US-20180092907-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 ALDH1A1 1257/4885TDP1 4048/4885USP2 3654/4885
US-20190167672-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 ALDH1A1 1257/4885TDP1 4048/4885USP2 3654/4885

“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.