SCHEMBL7054910

SCHEMBL7054910

CC(C)C1=CC(=O)OCC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34

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
SCHEMBL12557311 0.79
SCHEMBL125458 0.69
SCHEMBL1665112 0.69
SCHEMBL18824335 0.67
SCHEMBL3937352 0.65 MAPT (0.40) ALDH1A1
SCHEMBL979693 0.64
SCHEMBL8519835 0.64
SCHEMBL13798795 0.64
SCHEMBL2328513 0.64
SCHEMBL16862328 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6639089-B2 Therapy, side effect reduction SODA AROMATIC CO., LTD. 2003-10-28 US claimed
US-20030055105-A1 Anticancer agents, perfumes or foods and drinks containing omega-hydroxyfatty acids SODA AROMATIC CO., LTD. A JAPANESE CORPORATION (JP) 2003-03-20 US claimed
EP-1249236-A1 ANTICANCER AGENTS, PERFUMES OR FOODS AND DRINKS CONTAINING $g(v)-HYDROXYFATTY ACIDS SODA AROMATIC COMPANY, LIMITED (JP) 2002-10-16 EP claimed
US-20230135152-A1 PIKFYVE KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-04 US disclosed
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-8663621-B2 Identification and synthesis of a male-produced pheromone for the neotropical root weevil Diaperpes abbreviatus (coleoptera: curculionidae) THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2014-03-04 US disclosed
US-8663621-B2 Identification and synthesis of a male-produced pheromone for the neotropical root weevil Diaperpes abbreviatus (coleoptera: curculionidae) THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2014-03-04 US disclosed
US-20130189222-A1 IDENTIFICATION AND SYNTHESIS OF A MALE-PRODUCED PHEROMONE FOR THE NEOTROPICAL ROOT WEEVIL DIAPERPES ABBREVIATUS (COLEOPTERA: CURCULIONIDAE) THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2013-07-25 US disclosed
US-20130189222-A1 IDENTIFICATION AND SYNTHESIS OF A MALE-PRODUCED PHEROMONE FOR THE NEOTROPICAL ROOT WEEVIL DIAPERPES ABBREVIATUS (COLEOPTERA: CURCULIONIDAE) THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2013-07-25 US disclosed
US-7468437-B2 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2008-12-23 US disclosed
US-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-02-22 US disclosed
US-6639089-B2 Therapy, side effect reduction SODA AROMATIC CO., LTD. 2003-10-28 US disclosed
US-20030055105-A1 Anticancer agents, perfumes or foods and drinks containing omega-hydroxyfatty acids SODA AROMATIC CO., LTD. A JAPANESE CORPORATION (JP) 2003-03-20 US disclosed
EP-1249236-A1 ANTICANCER AGENTS, PERFUMES OR FOODS AND DRINKS CONTAINING $g(v)-HYDROXYFATTY ACIDS SODA AROMATIC COMPANY, LIMITED (JP) 2002-10-16 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 (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-20230135152-A1 PIKFYVE KINASE INHIBITORS PIKFYVE, PIP5K1B, PIP5K1C ALDH1A1 4878/4885LMNA 4275/4885TP53 795/4885
US-20030055105-A1 Anticancer agents, perfumes or foods and drinks containing omega-hydroxyfatty acids ALOX5, ELOVL5, ELOVL3 ALDH1A1 397/4885LMNA 2101/4885TP53 117/4885
US-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists TACR1, NPSR1, TACR2 ALDH1A1 1817/4885LMNA 3906/4885TP53 3261/4885
US-20130189222-A1 IDENTIFICATION AND SYNTHESIS OF A MALE-PRODUCED PHEROMONE FOR THE NEOTROPICAL ROOT WEEVIL DIAPERPES ABBREVIATUS (COLEOPTERA: CURCULIONIDAE) NOTUM, WAPL, RCE1 ALDH1A1 613/4885LMNA 3335/4885TP53 4295/4885
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS CBR3, CYP4X1, CBR1 ALDH1A1 1882/4885LMNA 2108/4885TP53 3910/4885
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS CBR1, CBR3, VRK1 ALDH1A1 1954/4885LMNA 748/4885TP53 3901/4885

“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.