SCHEMBL14877965

SCHEMBL14877965

CC(=O)C1CCC(C2CCC(C)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
MAPT P10636 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALOX15 P16050 1/20 0.31
NPC1 O15118 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
SCHEMBL524914 0.92 EPHX1 (0.38) EPHX1MAPTALDH1A1KDM4ENPC1
SCHEMBL1690524 0.92 EPHX1 (0.38) EPHX1MAPTALDH1A1KDM4ENPC1
SCHEMBL14942466 0.92 EPHX1 (0.38) EPHX1MAPTALDH1A1KDM4ENPC1
SCHEMBL14336925 0.89 MAPT (0.33) MAPTALDH1A1
SCHEMBL14227529 0.82 CHRNB2 (0.43) EPHX1MAPTALDH1A1KDM4EALOX15
SCHEMBL16556334 0.82 CHRNB2 (0.43) EPHX1MAPTALDH1A1KDM4EALOX15
SCHEMBL13165462 0.81 MAPT (0.38) MAPTALDH1A1ALOX15
SCHEMBL2617044 0.81 MAPT (0.38) MAPTALDH1A1ALOX15
SCHEMBL76462 0.81
SCHEMBL13165512 0.81 MAPT (0.38) MAPTALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019202884-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, LIQUID CRYSTAL ELEMENT, POLYMER, AND COMPOUND JSR株式会社 2019-10-24 WO disclosed
US-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
EP-2722380-A2 Liquid crystal medium, method for the stabilisation thereof and liquid crystal display Merck Patent GmbH (DE) 2014-04-23 EP disclosed
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-8426626-B2 Compound having asymmetric carbon atom, oxidation-reduction reaction causing portion, and liquid crystal substituent FUJIFILM CORPORATION (JP) 2013-04-23 US 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 (2 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-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 EPHX1 3837/4885MAPT 4574/4885ALDH1A1 4703/4885
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 EPHX1 3837/4885MAPT 4574/4885ALDH1A1 4703/4885

“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.