SCHEMBL627242

SCHEMBL627242

CCCCN(CCCC)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
CNR2 P34972 2/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
KCNH2 Q12809 2/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
MCHR1 Q99705 1/20 0.40
AR P10275 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 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
Lithium Ion SCHEMBL19732617 0.98 CYP2C19 (0.44) CYP2C19EGFRERBB2CNR2ALDH1A1
SCHEMBL21065748 0.98 CYP2C19 (0.44) CYP2C19EGFRERBB2CNR2ALDH1A1
SCHEMBL17660030 0.96 EGFR (0.42) CYP2C19EGFRERBB2CNR2ALDH1A1
SCHEMBL17660035 0.96 EGFR (0.42) CYP2C19EGFRERBB2CNR2ALDH1A1
SCHEMBL21242480 0.96 CNR2 (0.48) CYP2C19EGFRERBB2CNR2ALDH1A1
SCHEMBL17660036 0.96 EGFR (0.42) CYP2C19EGFRERBB2CNR2ALDH1A1
SCHEMBL15682788 0.96 EGFR (0.42) CYP2C19EGFRERBB2CNR2ALDH1A1
SCHEMBL2493461 0.94 EGFR (0.41) CYP2C19EGFRERBB2CNR2ALDH1A1
SCHEMBL11313427 0.93 CNR2 (0.49) CYP2C19EGFRERBB2CNR2ALDH1A1
SCHEMBL22321042 0.91 CNR2 (0.51) CYP2C19CNR2ALDH1A1TSHRKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858995-B1 RADICALLY CURABLE COATING COMPOUNDS BASF SE (DE) 2009-03-04 EP claimed
US-20080160320-A1 Radically Curable Coating Compounds BASF AKTIENGESELLSCHAFT (DE) 2008-07-03 US claimed
US-6512068-B1 Substantially transparent adhesive composition for hard tissue, and a method for producing it; the adhesive composition exhibits good adhesiveness to hard tissue, especially to both enamel and dentin, and has the advantage of KURARAY CO., LTD. (JP) 2003-01-28 US claimed
US-4360621-A FOR RUBBERS AND POLYURETHANES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-11-23 US claimed
US-4069242-A SYNERGISTIC CATALYST SYSTEM CONTAINING AMMONIUM OR AMINE NITROGEN AND IRON OR CHROMIUM COMPOUND THE DOW CHEMICAL COMPANY (US) 1978-01-17 US claimed
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
US-12077631-B2 Bulk polymerisation of polyoxazolidone BASF SE (DE) 2024-09-03 US disclosed
US-20240116965-A1 ORGANOMETALLIC COMPOUNDS UMICORE AG & CO. KG (DE) 2024-04-11 US disclosed
US-20230384496-A1 OPTICAL MEMBER FOR USE IN DISPLAY DEVICE AND DISPLAY DEVICE INCLUDING DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2023-11-30 US disclosed
EP-4267591-A2 ORGANOMETALLIC COMPOUNDS Umicore AG & Co. KG (DE) 2023-11-01 EP disclosed
US-11789307-B2 Colorant filter, backlight unit, and liquid crystal display device FUJIFILM CORPORATION (JP) 2023-10-17 US disclosed
CN-116802187-A Organometallic compounds 优米科尔股份公司及两合公司 2023-09-22 CN disclosed
US-5028734-A Process for the selective preparation of alkenecarboxylic acid derivatives SHELL OIL COMPANY (US) 1991-07-02 US disclosed
US-5026901-A Producing alkyl pentenoate E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-06-25 US disclosed
US-4824817-A Catalyst for the carbonylation of conjugated dienes SHELL OIL COMPANY (US) 1989-04-25 US disclosed
EP-0273489-A2 Process for the selective preparation of alkenecarboxylic acid derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-07-06 EP disclosed
US-4360621-A FOR RUBBERS AND POLYURETHANES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-11-23 US disclosed
US-4172087-A COORDINATION CATALYSTS CONTAINING PALLADIUM TEXACO DEVELOPMENT CORPORATION (US) 1979-10-23 US disclosed
US-4124617-A CATALYST COMPRISING PALLADIUM SALTS COMBINED WITH TERTIARY PHOSPHORUS CONTAINING LIGANDS TEXACO DEVELOPMENT CORPORATION (US) 1978-11-07 US disclosed
US-4069242-A SYNERGISTIC CATALYST SYSTEM CONTAINING AMMONIUM OR AMINE NITROGEN AND IRON OR CHROMIUM COMPOUND THE DOW CHEMICAL COMPANY (US) 1978-01-17 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-20240116965-A1 ORGANOMETALLIC COMPOUNDS DDT, PPOX, PDCD2L CYP2C19 1003/4885EGFR 3578/4885ERBB2 2637/4885

“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.