SCHEMBL2123606

SCHEMBL2123606

CC(Cl)=CCOCC=C(C)Cl

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9119252 0.83
SCHEMBL9119250 0.83
SCHEMBL23635616 0.81
SCHEMBL13380892 0.81
SCHEMBL9120362 0.79
SCHEMBL9120359 0.79
SCHEMBL25712732 0.79 ALDH1A1 (0.40) ALDH1A1
SCHEMBL9117677 0.77
SCHEMBL9117674 0.77
Hydrochloric Acid SCHEMBL17437334 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2444400-B1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2018-03-28 EP disclosed
US-9815835-B2 Substituted polycyclic carbamolypyridone derivative SHIONOGI & CO., LTD. (JP) 2017-11-14 US disclosed
US-20160368921-A1 SUBSTITUTED POLYCYCLIC CARBAMOLYPYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2016-12-22 US disclosed
US-9469638-B2 Substituted polycyclic carbamoylpyridone derivative SHIONOGI & CO., LTD. (JP) 2016-10-18 US disclosed
US-20150065485-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2015-03-05 US disclosed
US-8927710-B2 Substituted polycyclic carbamoylpyridone derivative SHIONOGI & CO., LTD. (JP) 2015-01-06 US disclosed
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-07-19 US disclosed
EP-2444400-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2012-04-25 EP disclosed
EP-0718295-B1 Lactones with antioxidising and hypolipidaemic activity useful in the therapy of the atherosclerosis ALFA WASSERMANN SPA (IT) 1998-04-22 EP disclosed
US-5608084-A AND VASCULAR PATHOLOGIES; MULTISTEP PREPARATION BY REACTING A HYDROQUINONE WITH ALKYL VINYL KETONE, ESTERIFYING HYDROXY 3,4-DIHYDRO-2H-1-BENZOPYRAN, DEMETHYLATING ETHER, REACTING WITH ALKYL 5-BROMOPENTANOATE, HYDROLYZING, TWO MORE STEPS ALFA WASSERMANN S.P.A. (IT) 1997-03-04 US disclosed
EP-0718295-A1 Lactones with antioxidising and hypolipidaemic activity useful in the therapy of the atherosclerosis ALFA WASSERMANN S.p.A. (IT) 1996-06-26 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 (3 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-20160368921-A1 SUBSTITUTED POLYCYCLIC CARBAMOLYPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 ALDH1A1 1937/4885MAPT 4224/4885SMN1; SMN2 4506/4885
US-20150065485-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 ALDH1A1 1813/4885MAPT 4280/4885SMN1; SMN2 4520/4885
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 ALDH1A1 1813/4885MAPT 4280/4885SMN1; SMN2 4520/4885

“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.