SCHEMBL3158408

SCHEMBL3158408

CCCC1CC=C(c2ccc3cc(OC)ccc3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
FDFT1 P37268 1/20 0.40
ESR2 Q92731 1/20 0.40
GSTP1 P09211 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
NLRP3 Q96P20 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 1/20 0.38
CYP11B2 P19099 3/20 0.38
CYP11B1 P15538 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP17A1 P05093 2/20 0.36
NISCH Q9Y2I1 1/20 0.36

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
SCHEMBL11140626 0.93 HSD17B1 (0.39) HSD17B1HSD17B2FDFT1ESR2GSTP1
SCHEMBL11144745 0.91 HSD17B1 (0.38) HSD17B1HSD17B2FDFT1ESR2GSTP1
SCHEMBL11139816 0.90 HSD17B1 (0.38) HSD17B1HSD17B2FDFT1ESR2GSTP1
SCHEMBL11144485 0.90 HSD17B1 (0.38) HSD17B1HSD17B2FDFT1ESR2GSTP1
SCHEMBL11135502 0.90 HSD17B1 (0.38) HSD17B1HSD17B2FDFT1ESR2GSTP1
SCHEMBL11137743 0.90 HSD17B1 (0.43) HSD17B1HSD17B2FDFT1ESR2GSTP1
SCHEMBL10929861 0.89 ESR2 (0.45) ESR2NPC1RAB9ACASP3SENP8
SCHEMBL11140672 0.89 NPC1 (0.49) ESR2NPC1RAB9ACASP3SENP8
SCHEMBL10931052 0.88 ESR2 (0.44) ESR2NPC1RAB9ACASP3SENP8
SCHEMBL11140620 0.88 NPC1 (0.40) ESR2NPC1RAB9ACASP3SENP8

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-1452514-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2010-03-31 EP disclosed
EP-1273562-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2009-07-22 EP disclosed
US-7145047-B2 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-12-05 US disclosed
US-20050133762-A1 Liquid crystalline compound having high optical anisotropy and liquid crystalline composition comprising the same SAMSUNG ELECTRONIC CO., LTD. (KR) 2005-06-23 US disclosed
EP-0952135-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2005-01-05 EP disclosed
EP-1452514-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-09-01 EP disclosed
US-20030136944-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-07-24 US disclosed
EP-1273562-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-01-08 EP disclosed
US-6468607-B1 MISCIBILITY, LARGE BIREFRINGENCE INDEX, NO STRONGLY POLAR GROUP IN ITS MOLECULE AND THUS CAN ALSO BE USED FOR ACTIVE MATRIX DRIVING, WIDE TEMPERATURE RANGE AND REQUIRES A HIGH SPEED RESPONSE AND A LOW VOLTAGE DRIVING DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-10-22 US disclosed
EP-0952135-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-10-27 EP disclosed
US-4386007-A ELECTROOPTIC DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-05-31 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-20030136944-A1 Naphthalene derivative and liquid crystal composition comprising the same NLK, NOTCH1, NOTCH4 HSD17B1 352/4885HSD17B2 388/4885FDFT1 350/4885
US-20050133762-A1 Liquid crystalline compound having high optical anisotropy and liquid crystalline composition comprising the same KIF23, CDK13, KIF11 HSD17B1 2882/4885HSD17B2 3337/4885FDFT1 1204/4885

“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.