SCHEMBL309989

SCHEMBL309989

[CH2]CC(CC(C)C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.40
TRPA1 O75762 4/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HRH1 P35367 2/20 0.37
CACNA1F O60840 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2B P18089 1/20 0.37
CHRM3 P20309 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRK1 P41145 1/20 0.37
CACNA1D Q01668 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
SCN5A Q14524 1/20 0.37
AOC3 Q16853 3/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL6956036 0.85 TRPA1 (0.52) TAAR1TRPA1ALDH1A1HRH1CACNA1F
SCHEMBL8124007 0.83 TRPA1 (0.39) TAAR1TRPA1ALDH1A1LMNAHRH1
SCHEMBL3031215 0.81 TAAR1 (0.43) TAAR1LMNAHRH1CYP3A4ALOX15
SCHEMBL8113459 0.80 TRPA1 (0.37) TAAR1TRPA1ALDH1A1LMNAHRH1
SCHEMBL1774828 0.80 LMNA (0.46) TAAR1TRPA1ALDH1A1LMNAHRH1
SCHEMBL872695 0.78 TRPA1 (0.53) TAAR1TRPA1ALDH1A1LMNAAOC3
SCHEMBL8558578 0.78 ALDH1A1 (0.46) TAAR1TRPA1ALDH1A1LMNAHRH1
SCHEMBL19090082 0.78 TAAR1 (0.56) TAAR1TRPA1HRH1SLC6A3AOC3
SCHEMBL2086299 0.78 TAAR1 (0.56) TAAR1TRPA1HRH1SLC6A3AOC3
SCHEMBL19294780 0.78 TAAR1 (0.56) TAAR1TRPA1HRH1SLC6A3AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519353-B1 Indolizin derivatives, process for their preparation and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO (JP) 2000-08-16 EP claimed
CN-1042226-C Heterocyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1999-02-24 CN claimed
US-5334716-A Preventing testosteron 5a-reductase mediated diseases; alopecia, acne, prostatism FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-08-02 US claimed
CN-1067893-A Hete rocyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1993-01-13 CN claimed
EP-0519353-A2 Indolizin derivatives, process for their preparation and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-12-23 EP claimed
US-20230094176-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENT AB (SE) 2023-03-30 US disclosed
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
WO-2021154976-A1 METHODS OF TREATING BRAIN CANCER WITH PANOBINOSTAT SECURA BIO, INC. (US) 2021-08-05 WO disclosed
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB (SE) 2021-03-04 US 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
CN-110437046-A Polymer containing fluorine atom and its utilize technical field NISSAN CHEMICAL IND LTD 2019-11-12 CN disclosed
US-20180030200-A1 FLUORINE ATOM-CONTAINING POLYMER AND USE OF SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-02-01 US disclosed
EP-0458207-B1 Indole derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-03-26 EP disclosed
EP-0620818-A1 ARYL KETONES AS TESTOSTERONE 5$g(a)-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-26 EP disclosed
EP-0600084-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed
US-5312829-A Testosterone 5alpha-reductase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-17 US disclosed
WO-1993013099-A1 ARYL KETONES AS TESTOSTERONE 5α-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-08 WO disclosed
US-5212320-A Enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-18 US disclosed
WO-1993003012-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-18 WO disclosed
EP-0458207-A2 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-27 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 (3 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-20180030200-A1 FLUORINE ATOM-CONTAINING POLYMER AND USE OF SAME AFF2, AFF1, AFF4 TAAR1 2400/4885TRPA1 3711/4885ALDH1A1 2629/4885
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 TAAR1 4681/4885TRPA1 4150/4885ALDH1A1 3068/4885
US-20230094176-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC2, HDAC1 TAAR1 4738/4885TRPA1 4321/4885ALDH1A1 2984/4885

“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.