SCHEMBL1630255

SCHEMBL1630255

COc1ccc2cc(C3=CCCC3)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
HSD17B1 P14061 2/20 0.51
HSD17B2 P37059 2/20 0.51
GSTP1 P09211 1/20 0.49
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
CYP11B1 P15538 5/20 0.45
CYP11B2 P19099 5/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
NISCH Q9Y2I1 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43
FDFT1 P37268 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL8939884 0.86 KCNH2 (0.47) NPC1RAB9APDGFRBPDGFRAACMSD
SCHEMBL5268060 0.81 NCOA1 (0.47) NPC1RAB9APDGFRBPDGFRACYP1A2
SCHEMBL10489436 0.80 NPC1 (0.53) NPC1RAB9AACMSDPTGS2KCNH2
SCHEMBL11659183 0.79 NPC1 (0.51) NPC1RAB9AACMSDPTGS2KCNH2
SCHEMBL11659189 0.79 NPC1 (0.51) NPC1RAB9AACMSDPTGS2KCNH2
SCHEMBL31240857 0.77 PDGFRB (0.46) NPC1RAB9APDGFRBPDGFRACYP1A2
SCHEMBL1257312 0.77 RAB9A (0.50) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL19737305 0.76 GSTP1 (0.53) NPC1RAB9AHSD17B1HSD17B2GSTP1
SCHEMBL5584786 0.76 NISCH (0.48) NPC1RAB9AHSD17B1HSD17B2GSTP1
SCHEMBL18905380 0.76 ACMSD (0.44) NPC1RAB9APDGFRBPDGFRAACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210122978-A1 Liquid Crystals Comprising Cyclopentane Groups VVI BRIGHT CHINA LTD (CN) 2021-04-29 US disclosed
US-20210122978-A1 Liquid Crystals Comprising Cyclopentane Groups VVI BRIGHT CHINA LTD (CN) 2021-04-29 US disclosed
US-10745617-B2 Liquid crystals comprising cyclopentane groups VVI BRIGHT CHINA LTD (CN) 2020-08-18 US disclosed
US-10745617-B2 Liquid crystals comprising cyclopentane groups VVI BRIGHT CHINA LTD (CN) 2020-08-18 US disclosed
US-20180163131-A1 LIQUID CRYSTALS COMPRISING CYCLOPENTANE GROUPS VVI BRIGHT, INC. 2018-06-14 US disclosed
US-20180163131-A1 LIQUID CRYSTALS COMPRISING CYCLOPENTANE GROUPS VVI BRIGHT, INC. 2018-06-14 US disclosed
US-9822303-B2 Liquid crystals comprising cyclopentane groups VVI BRIGHT CHINA LTD (CN) 2017-11-21 US disclosed
US-9822303-B2 Liquid crystals comprising cyclopentane groups VVI BRIGHT CHINA LTD (CN) 2017-11-21 US disclosed
US-20160237348-A1 LIQUID CRYSTALS COMPRISING CYCLOPENTANE GROUPS VVI BRIGHT, INC. 2016-08-18 US disclosed
US-20160237348-A1 LIQUID CRYSTALS COMPRISING CYCLOPENTANE GROUPS VVI BRIGHT, INC. 2016-08-18 US disclosed
US-8801966-B2 Liquid crystals comprising cyclopentane groups VVI BRIGHT CHINA LTD. (CN) 2014-08-12 US disclosed
US-8801966-B2 Liquid crystals comprising cyclopentane groups VVI BRIGHT CHINA LTD. (CN) 2014-08-12 US disclosed
CN-101978024-B Liquid crystals comprising cyclopentane groups JINGMEISHENG OPTOELECTRIC MATERIAL NANJING CO LTD 2014-05-07 CN disclosed
CN-103320141-A Liquid crystals comprising cyclopentane groups VVI BRIGHT INC 2013-09-25 CN disclosed
CN-103319306-A Liquid crystals comprising cyclopentane groups VVI BRIGHT INC 2013-09-25 CN disclosed
US-20110089374-A1 Liquid Crystals Comprising Cyclopentane Groups VVI BRIGHT, INC. (US) 2011-04-21 US disclosed
US-20110089374-A1 Liquid Crystals Comprising Cyclopentane Groups VVI BRIGHT, INC. (US) 2011-04-21 US disclosed
CN-101978024-A Liquid crystals comprising cyclopentane groups VVI BRIGHT INC 2011-02-16 CN disclosed
WO-2009100204-A1 LIQUID CRYSTALS COMPRISING CYCLOPENTANE GROUPS VVI BRIGHT, INC. (US) 2009-08-13 WO disclosed
WO-2009100204-A1 LIQUID CRYSTALS COMPRISING CYCLOPENTANE GROUPS VVI BRIGHT, INC. (US) 2009-08-13 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 (4 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-20210122978-A1 Liquid Crystals Comprising Cyclopentane Groups CXCR5, CCL5, ELOC NPC1 1149/4885RAB9A 3187/4885HSD17B1 1264/4885
US-10745617-B2 Liquid crystals comprising cyclopentane groups CXCR5, CCL5, ELOC NPC1 1149/4885RAB9A 3187/4885HSD17B1 1264/4885
US-20180163131-A1 LIQUID CRYSTALS COMPRISING CYCLOPENTANE GROUPS CXCR5, CCL5, ELOC NPC1 1149/4885RAB9A 3187/4885HSD17B1 1264/4885
US-20110089374-A1 Liquid Crystals Comprising Cyclopentane Groups CXCR5, CCL5, ELOC NPC1 1149/4885RAB9A 3187/4885HSD17B1 1264/4885

“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.