SCHEMBL4156620

SCHEMBL4156620

Cc1ccccc(O)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.50
▸ ATM Q13315 2/20 0.50
▸ CXCR2 P25025 1/20 0.47
▸ DBH P09172 2/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ LMNA P02545 3/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ CA12 O43570 1/20 0.45
▸ GMNN O75496 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ FYN P06241 1/20 0.45
▸ POLB P06746 1/20 0.45

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
Orthocresol SCHEMBL28292682 0.80 — —
SCHEMBL122963 0.80 ALDH1A1 (0.60) DBHMMP2ALDH1A1LMNAHSD17B10
Orthocresol SCHEMBL29395276 0.77 — —
Orthocresol SCHEMBL8710164 0.77 TRPA1 (0.60) TRPA1ATMALDH1A1LMNAHSD17B10
Orthocresol SCHEMBL170162 0.77 TRPA1 (0.60) TRPA1ATMALDH1A1LMNAHSD17B10
Orthocresol SCHEMBL10419161 0.77 TRPA1 (0.60) TRPA1ATMALDH1A1LMNAHSD17B10
Orthocresol SCHEMBL16002 0.77 — —
Orthocresol SCHEMBL300420 0.76 TRPA1 (0.52) TRPA1ATMCXCR2DBHMMP2
Orthocresol SCHEMBL27388034 0.76 TRPA1 (0.52) TRPA1ATMCXCR2DBHMMP2
Orthocresol SCHEMBL8995948 0.75 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0267378-B1 TROPOLONE DERIVATIVES AS AN ANTI-MYCOPLASMA AGENT SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-11-04 — — EP claimed
EP-0267378-A2 Tropolone derivatives as an anti-mycoplasma agent SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1988-05-18 — — EP claimed
US-9790158-B2 Substituted tropolone derivatives and methods of use UNIVERSITY OF CONNECTICUT (US) 2017-10-17 — — US disclosed
US-20150166448-A1 Substituted Tropolone Derivatives and Methods of Use UNIVERSITY OF CONNECTICUT 2015-06-18 — — US disclosed
US-20090081134-A1 Oral Care Compositions Comprising Tropolone Compounds and Essential Oils and Methods of Using The Same PAN PAULINE 2009-03-26 — — US disclosed
EP-1536759-A1 ORAL CARE COMPOSITION COMPRISING TROPOLONE COMPOUNDS AND ESSENTIAL OILS Warner-Lambert Company LLC (US) 2005-06-08 — — EP disclosed
US-20040185010-A1 Oral care compositions comprising tropolone compounds and essential oils and methods of using the same MCNEIL-PPC, INC 2004-09-23 — — US disclosed
WO-2004012692-A1 ORAL CARE COMPOSITION COMPRISING TROPOLONE COMPOUNDS AND ESSENTIAL OILS WARNER-LAMBERT COMPANY LLC (US) 2004-02-12 — — WO disclosed
US-6689342-B1 DENTISTRY WARNER-LAMBERT COMPANY 2004-02-10 — — US disclosed
US-20040018154-A1 ORAL CARE COMPOSITIONS COMPRISING TROPOLONE COMPOUNDS AND ESSENTIAL OILS AND METHODS OF USING THE SAME MCNEIL-PPC, INC 2004-01-29 — — US disclosed
CN-1061655-C Method of manufacturing the cycloheptimidazole derivatives KOTOBUKI SEIYAKU CO LTD (JP) 2001-02-07 — — CN disclosed
CN-1127752-A Method of manufacturing the cycloheptimidazole derivatives KOTOBUKI SEIYAKU CO LTD (JP) 1996-07-31 — — CN disclosed
US-5409947-A Treating hypertension, congestive heart failure KOTOBUKI SEIYAKU CO., LTD. (JP) 1995-04-25 — — US disclosed
EP-0267378-B1 TROPOLONE DERIVATIVES AS AN ANTI-MYCOPLASMA AGENT SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-11-04 — — EP disclosed
US-4950686-A Anti-mycoplasma agent SHIONOGI & CO., LTD. (JP) 1990-08-21 — — US disclosed
EP-0267378-A2 Tropolone derivatives as an anti-mycoplasma agent SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1988-05-18 — — 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 (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-20090081134-A1 Oral Care Compositions Comprising Tropolone Compounds and Essential Oils and Methods of Using The Same TMSB10, PIGS, TPM3 TRPA1 523/4885ATM 3674/4885CXCR2 3251/4885
US-20040185010-A1 Oral care compositions comprising tropolone compounds and essential oils and methods of using the same TMSB10, PIGS, TPM3 TRPA1 523/4885ATM 3674/4885CXCR2 3251/4885
US-20150166448-A1 Substituted Tropolone Derivatives and Methods of Use HDAC5, HDAC4, HDAC7 TRPA1 4546/4885ATM 2741/4885CXCR2 4220/4885
US-20040018154-A1 ORAL CARE COMPOSITIONS COMPRISING TROPOLONE COMPOUNDS AND ESSENTIAL OILS AND METHODS OF USING THE SAME TMSB10, PIGS, TPM3 TRPA1 523/4885ATM 3674/4885CXCR2 3251/4885

“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.

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