SCHEMBL5080247

SCHEMBL5080247

CC1(C)Oc2c(O)cccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
IDO1 P14902 3/20 0.40
TYMS P04818 1/20 0.40
MAOA P21397 3/20 0.39
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 4/20 0.38
HPGD P15428 3/20 0.38
ALOX15 P16050 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
MAOB P27338 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
SCHEMBL19891984 0.80 CA1 (0.53) CA1CA2CA7CA9IDO1
SCHEMBL13742725 0.79 CA1 (0.42) CA1CA2CA7CA9ESR1
SCHEMBL2761699 0.78 IDO1 (0.40) CA1CA2CA7CA9IDO1
SCHEMBL8948586 0.78 TYMS (0.40) CA1CA2CA7CA9TYMS
SCHEMBL8652048 0.78 TYMS (0.40) CA1CA2CA7CA9ESR1
SCHEMBL10638208 0.75 CA1 (0.46) CA1CA2CA7CA9IDO1
SCHEMBL8654461 0.75 TYMS (0.38) IDO1TYMSCDC25BCDC25A
SCHEMBL3159246 0.73 IDO1 (0.42) CA1CA2CA7CA9ESR1
SCHEMBL8948584 0.73 CA1 (0.50) CA1CA2CA7CA9MAPT
SCHEMBL9004504 0.71 ALDH1A1 (0.59) CA1CA2CA7CA9TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0140904-A1 PROCESS AND COMPOSITION FOR PLANT GROWTH REGULATION. NITROKEMIA IPARTELEPEK (HU) 1985-05-15 EP claimed
WO-1984003419-A1 PROCESS AND COMPOSITION FOR PLANT GROWTH REGULATION NITROKEMIA IPARTELEPEK (HU) 1984-09-13 WO claimed
EP-2701673-B1 DYE COMPOSITION USING A PARTICULAR PHENOLIC COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, PROCESSES AND DEVICES L'ORÉAL (FR) 2017-09-13 EP disclosed
US-9241886-B2 Dye composition using a particular phenolic coupler in a medium rich in fatty substances, processes and devices L'OREAL (FR) 2016-01-26 US disclosed
US-9241886-B2 Dye composition using a particular phenolic coupler in a medium rich in fatty substances, processes and devices L'OREAL (FR) 2016-01-26 US disclosed
US-20140053346-A1 DYE COMPOSITION USING A PARTICULAR PHENOLIC COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, PROCESSES AND DEVICES L'OREAL (FR) 2014-02-27 US disclosed
US-20140053346-A1 DYE COMPOSITION USING A PARTICULAR PHENOLIC COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, PROCESSES AND DEVICES L'OREAL (FR) 2014-02-27 US disclosed
EP-1664051-A4 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BRISTOL MYERS SQUIBB CO (US) 2008-12-31 EP disclosed
EP-1664051-A2 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Bristol-Myers Squibb Company (US) 2006-06-07 EP disclosed
US-7030112-B2 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-18 US disclosed
WO-2005030144-A2 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-07 WO disclosed
EP-0863906-B1 HETEROCYCLIC DIOXETHANE SUBSTRATES, PROCESS FOR THEIR PREPARATION AND THEIR USE ROCHE DIAGNOSTICS GMBH (DE) 2003-02-12 EP disclosed
US-6107036-A Heterocyclic dioxethane substrates, process for their preparation and their use ROCHE DIAGNOSTICS GMBH (DE) 2000-08-22 US disclosed
EP-0863906-A2 HETEROCYCLIC DIOXETHANE SUBSTRATES, PROCESS FOR THEIR PREPARATION AND THEIR USE Roche Diagnostics GmbH (DE) 1998-09-16 EP disclosed
WO-1997014696-A2 HETEROCYCLIC DIOXETHANE SUBSTRATES, PROCESS FOR THEIR PREPARATION AND THEIR USE BOEHRINGER MANNHEIM GMBH (DE) 1997-04-24 WO disclosed
EP-0140904-B1 PROCESS AND COMPOSITION FOR PLANT GROWTH REGULATION NITROKEMIA IPARTELEPEK (HU) 1988-08-10 EP disclosed
EP-0140904-A1 PROCESS AND COMPOSITION FOR PLANT GROWTH REGULATION. NITROKEMIA IPARTELEPEK (HU) 1985-05-15 EP disclosed
EP-0140904-A1 PROCESS AND COMPOSITION FOR PLANT GROWTH REGULATION. NITROKEMIA IPARTELEPEK (HU) 1985-05-15 EP disclosed
WO-1984003419-A1 PROCESS AND COMPOSITION FOR PLANT GROWTH REGULATION NITROKEMIA IPARTELEPEK (HU) 1984-09-13 WO disclosed
WO-1984003419-A1 PROCESS AND COMPOSITION FOR PLANT GROWTH REGULATION NITROKEMIA IPARTELEPEK (HU) 1984-09-13 WO 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-20140053346-A1 DYE COMPOSITION USING A PARTICULAR PHENOLIC COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, PROCESSES AND DEVICES C1R, F12, AKR1C3 CA1 745/4885CA2 434/4885CA7 165/4885

“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.