SCHEMBL2387979

SCHEMBL2387979

Fc1ccc2c(c[c]c3ccccc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.42
CYP2A6 P11509 2/20 0.42
HPRT1 P00492 3/20 0.36
ATM Q13315 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK10 P53779 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1B1 Q16678 3/20 0.32
CYP1A1 P04798 2/20 0.32
XDH P47989 1/20 0.32
ALDH1A1 P00352 3/20 0.32

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
SCHEMBL9958196 0.78 ESR1 (0.40) CYP1A2NPC1CYP3A4CYP2C9CYP2C19
SCHEMBL18317758 0.78 NQO2 (0.42) CYP1A2CYP2A6MAPTALDH1A1KDM4E
SCHEMBL25131 0.78 ALDH1A1 (0.46) CYP1A2CYP2A6HPRT1CYP3A4MAPT
SCHEMBL27616289 0.76 ALDH1A1 (0.43) CYP1A2CYP2A6HPRT1CYP3A4MAPT
SCHEMBL2452867 0.76 ALDH1A1 (0.61) CYP1A2CYP2A6HPRT1MAPTCYP1B1
SCHEMBL70329 0.75 ALDH1A1 (0.43) CYP1A2CYP2A6HPRT1CYP3A4MAPT
SCHEMBL1067479 0.74 ALDH1A1 (0.54) CYP1A2CYP2A6HPRT1MAPTCYP1B1
SCHEMBL21247064 0.74 CA1 (0.47) CYP1A2CYP2A6CYP1B1CYP1A1XDH
SCHEMBL8733623 0.73 ALDH1A1 (0.41) CYP1A2CYP2A6HPRT1CYP3A4MAPT
SCHEMBL13818668 0.71 CYP1A2 (0.65) CYP1A2CYP2A6HPRT1MAPTCYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773586-B Poly (fluorobenzene ester) polymer material and synthetic method thereof 西安交通大学 2024-06-14 CN claimed
CN-114773586-A Poly (fluorophenyl ester) polymer material and synthesis method thereof 西安交通大学 2022-07-22 CN claimed
CN-114773586-B Poly (fluorobenzene ester) polymer material and synthetic method thereof 西安交通大学 2024-06-14 CN disclosed
CN-114773586-A Poly (fluorophenyl ester) polymer material and synthesis method thereof 西安交通大学 2022-07-22 CN disclosed
CN-108698982-B Fluorine atom-containing compound and use thereof 日产化学工业株式会社 2021-07-16 CN disclosed
EP-3404017-B1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL IND LTD (JP) 2020-05-13 EP disclosed
US-10336686-B2 Fluorine atom-containing compound and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-07-02 US disclosed
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-31 US disclosed
EP-3404017-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF Nissan Chemical Industries, Ltd. (JP) 2018-11-21 EP disclosed
EP-1935919-B1 POLYMER CONTAINING SULFO GROUP AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE POLYMER YAMAMOTO CHEMICALS INC (JP) 2012-09-05 EP disclosed
US-8012608-B2 Polymer containing sulfo group and organic electroluminescent element containing the polymer Yamamoto Chemcials, Inc. (JP) 2011-09-06 US disclosed
CN-101253222-B Polymer compound containing sulfonic acid group and organic electroluminescent element containing the same MITSUI CHEMICALS INC 2010-12-22 CN disclosed
US-20090230851-A1 Polymer Containing Sulfo Group and Organic Electroluminescent Element Containing the Polymer MITSUI CHEMICALS, INC. (JP) 2009-09-17 US disclosed
CN-101253222-A Polymer compound containing sulfonic acid group and organic electroluminescent element containing the same MITSUI CHEMICALS INC (JP) 2008-08-27 CN disclosed
EP-1935919-A1 POLYMER CONTAINING SULFO GROUP AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE POLYMER Mitsui Chemicals, Inc. (JP) 2008-06-25 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 (2 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-10336686-B2 Fluorine atom-containing compound and use thereof ARF1, ARF5, ARFGAP1 CYP1A2 648/4885CYP2A6 718/4885HPRT1 1242/4885
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF ARF1, ARF5, ARFGAP1 CYP1A2 648/4885CYP2A6 718/4885HPRT1 1242/4885

“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.