SCHEMBL1628516

SCHEMBL1628516

COc1ccc2cc(C3(O)CCCC3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
LMNA P02545 1/20 0.44
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
OPRL1 P41146 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
BCHE P06276 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 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
SCHEMBL34468469 0.93 CYP1A2 (0.48) CYP1A2CYP2A6LMNAOPRM1OPRD1
SCHEMBL6730322 0.85 DRD2 (0.47) CYP1A2CYP2A6LMNAOPRM1OPRD1
SCHEMBL19737304 0.84 LMNA (0.47) CYP1A2CYP2A6LMNAOPRM1OPRD1
SCHEMBL12317609 0.83 OPRM1 (0.55) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL8395305 0.83 HTR1A (0.50) CYP1A2CYP2A6LMNAOPRM1OPRD1
SCHEMBL2778410 0.82 SLC6A4 (0.54) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL29151340 0.82 SLC6A4 (0.54) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL28970495 0.82 SLC6A4 (0.54) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL21874209 0.82 SLC6A4 (0.54) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL28970493 0.82 SLC6A4 (0.54) LMNAOPRM1OPRD1OPRK1OPRL1

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 21 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-20150034872-A1 LIQUID CRYSTALS COMPRISING CYCLOPENTANE GROUPS VVI BRIGHT, INC. 2015-02-05 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-103319306-A Liquid crystals comprising cyclopentane groups VVI BRIGHT INC 2013-09-25 CN disclosed
CN-103320141-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20150034872-A1 LIQUID CRYSTALS COMPRISING CYCLOPENTANE GROUPS CXCR5, CCL5, ELOC CYP1A2 581/4885CYP2A6 1692/4885LMNA 1247/4885
US-20210122978-A1 Liquid Crystals Comprising Cyclopentane Groups CXCR5, CCL5, ELOC CYP1A2 581/4885CYP2A6 1692/4885LMNA 1247/4885
US-10745617-B2 Liquid crystals comprising cyclopentane groups CXCR5, CCL5, ELOC CYP1A2 581/4885CYP2A6 1692/4885LMNA 1247/4885
US-20180163131-A1 LIQUID CRYSTALS COMPRISING CYCLOPENTANE GROUPS CXCR5, CCL5, ELOC CYP1A2 581/4885CYP2A6 1692/4885LMNA 1247/4885
US-20110089374-A1 Liquid Crystals Comprising Cyclopentane Groups CXCR5, CCL5, ELOC CYP1A2 581/4885CYP2A6 1692/4885LMNA 1247/4885

“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.