SCHEMBL1142932

SCHEMBL1142932

CCCC1CCC([Mg]Br)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL10603096 1.00 CYP1A2 (0.39) CYP1A2LMNAMAPK1HTTCYP2C9
SCHEMBL8977251 0.88 CYP1A2 (0.54) CYP1A2LMNAMAPK1HTTCYP2C9
SCHEMBL8977298 0.85 CYP1A2 (0.50) CYP1A2LMNAMAPK1HTTCYP2C9
SCHEMBL11144783 0.80
SCHEMBL129995 0.79
SCHEMBL5691374 0.79 CYP1A2 (0.48) CYP1A2LMNAMAPK1HTTCYP2C9
SCHEMBL8417237 0.76 CYP1A2 (0.39) CYP1A2LMNAMAPK1HTTCYP2C9
SCHEMBL21220108 0.76 CYP1A2 (0.34) CYP1A2LMNAMAPK1CYP2C9MAPT
SCHEMBL8417235 0.76 CYP1A2 (0.39) CYP1A2LMNAMAPK1HTTCYP2C9
Ammonia Solution, Strong SCHEMBL267680 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212308-B1 BENZO[F]CHROME AND PYRANO[3,2-F]CHROME DERIVATIVES FOR USE IN LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 2013-05-22 EP disclosed
US-8303844-B2 Benzo[f]chrome any pyrano[3,2-f]chrome derivatives for use in liquid crystal media MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-11-06 US disclosed
US-20110043746-A1 BENZO[F]CHROME ANY PYRANO[3,2-F]CHROME DERIVATIVES FOR USE IN LIQUID CRYSTAL MEDIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-02-24 US disclosed
EP-2212308-A1 BENZO[F]CHROME AND PYRANO[3,2-F]CHROME DERIVATIVES FOR USE IN LIQUID CRYSTAL MEDIA Merck Patent GmbH (DE) 2010-08-04 EP disclosed
WO-2009068152-A1 BENZO[F]CHROME AND PYRANO[3,2-F]CHROME DERIVATIVES FOR USE IN LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 2009-06-04 WO disclosed
US-5523439-A Process for preparing silacyclohexane compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-06-04 US disclosed
EP-0696592-A1 Process for preparing silacyclohexane compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-02-14 EP disclosed
US-4868341-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-09-19 US disclosed
EP-0198714-B1 LIQUID CRISTALLINE COMPOSITIONS CONTAINING CYCLOHEXYLCYCLOHEXENE DERIVATIVES, AND THEIR USE DAINIPPON INK AND CHEMICALS, INC. (JP) 1989-08-09 EP disclosed
US-4698177-A LOW VISCOSITY LIQUID CRYSTALS DAINIPPON INK AND CHEMICALS, INC. (JP) 1987-10-06 US disclosed
US-4622164-A LIQUID CRYSTAL DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-11-11 US disclosed
EP-0198714-A1 Liquid cristalline compositions containing cyclohexylcyclohexene derivatives, and their use DAINIPPON INK AND CHEMICALS, INC. (JP) 1986-10-22 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 (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-20110043746-A1 BENZO[F]CHROME ANY PYRANO[3,2-F]CHROME DERIVATIVES FOR USE IN LIQUID CRYSTAL MEDIA CHRM1, F12, CTRB2 CYP1A2 99/4885LMNA 132/4885MAPK1 435/4885

“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.