SCHEMBL911042

SCHEMBL911042

O=[C]CCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
SIGMAR1 Q99720 3/20 0.39
HPGD P15428 1/20 0.38
METAP1 P53582 1/20 0.36
EPHX1 P07099 1/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2704009 1.00 CYP1A2 (0.42) CYP1A2SIGMAR1HPGDMETAP1EPHX1
SCHEMBL96802 0.97
SCHEMBL5218136 0.92
SCHEMBL98082 0.86
SCHEMBL8390897 0.85 CYP1A2 (0.50) CYP1A2SIGMAR1HPGDMETAP1EPHX1
SCHEMBL99022 0.85 CYP1A2 (0.50) CYP1A2SIGMAR1HPGDMETAP1EPHX1
SCHEMBL7350448 0.83 SIGMAR1 (0.50) CYP1A2SIGMAR1EPHX1
SCHEMBL97094 0.83 SIGMAR1 (0.50) CYP1A2SIGMAR1EPHX1
SCHEMBL1335898 0.83 SIGMAR1 (0.50) CYP1A2SIGMAR1EPHX1
SCHEMBL8075929 0.83 ALDH1A1 (0.32) CYP1A2HPGDEPHX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787484-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2020-09-29 US claimed
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2019-06-13 US claimed
CN-109475593-A COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE 豪夫迈·罗氏有限公司 2019-03-15 CN claimed
CN-102947378-A Clarified polypropylene articles with improved optical properties and/or increased temperature of crystallization BASF SE 2013-02-27 CN claimed
US-8012975-B2 These compounds lack a 1,4-bridging group as found in the ecteinascidins; and, have at the C-1 position a substituent selected from an amino or hydroxy group, optionally protected or derivatized; anticarcinogenic agents PHARMA MAR, S.A. (ES) 2011-09-06 US claimed
US-7666866-B2 Antithrombotic diamides ELI LILLY AND COMPANY (US) 2010-02-23 US claimed
EP-1819693-B1 ANTITHROMBOTIC DIAMIDES LILLY CO ELI (US) 2009-08-26 EP claimed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US claimed
US-20090062271-A1 Antithrombotic Diamides ELI LILLY AND COMPANY (US) 2009-03-05 US claimed
EP-1940785-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SmithKline Beecham Corporation (US) 2008-07-09 EP claimed
EP-0374098-A2 Inhibitors of retroviral proteases CIBA-GEIGY AG (CH) 1990-06-20 EP claimed
US-4914093-A CARDIOVASCULAR DISORDERS SANKYO COMPANY LIMITED (JP) 1990-04-03 US claimed
US-4812555-A Peptides possessing renin inhibitory activity MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-03-14 US claimed
US-4755592-A Statine-containing peptides useful in medicaments MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-07-05 US claimed
US-4436729-A ANTIBIOTICS, BACTERICIDES SCHERING CORPORATION (US) 1984-03-13 US claimed
US-4435388-A Tylosin 20-imino-20-deoxo-4\"-acyl derivatives, pharmaceutical compositions and method of use SCHERING CORPORATION (US) 1984-03-06 US claimed
US-4269773-A CEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1981-05-26 US claimed
US-4267340-A BACTERICIDES; SYNTHESIS OF PENICILLINS AND CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US claimed

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-20090062271-A1 Antithrombotic Diamides TFPI, SERPINC1, TFPI2 CYP1A2 936/4885SIGMAR1 4478/4885HPGD 225/4885
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 CYP1A2 3159/4885SIGMAR1 764/4885HPGD 1044/4885
US-10787484-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 CYP1A2 3180/4885SIGMAR1 4878/4885HPGD 2382/4885
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 CYP1A2 3180/4885SIGMAR1 4878/4885HPGD 2382/4885

“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.