SCHEMBL1630256

SCHEMBL1630256

COc1ccc2c(C3C=CCC3)cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
MTNR1A P48039 2/20 0.40
NQO2 P16083 1/20 0.40
MTNR1B P49286 1/20 0.40
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
CYP2C19 P33261 1/20 0.38

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
SCHEMBL5517312 0.79 MTNR1A (0.50) CYP1A2CYP2A6SIGMAR1MTNR1ANQO2
SCHEMBL16398286 0.77 KDM1A (0.46) CYP1A2MTNR1AMTNR1BCYP2C19
SCHEMBL5408925 0.77 KDM1A (0.46) CYP1A2MTNR1AMTNR1BCYP2C19
SCHEMBL10889728 0.74 CYP1A2 (0.46) CYP1A2CYP2A6SIGMAR1MTNR1ANQO2
SCHEMBL7881194 0.73 HTR2C (0.56) MTNR1A
SCHEMBL28078256 0.73 HTR2C (0.51) HTR2A
SCHEMBL16398273 0.73 HTR2C (0.51) HTR2A
SCHEMBL8690426 0.70 MEN1 (0.59) CYP1A2MTNR1ANQO2MTNR1BCYP2C19
SCHEMBL5759614 0.69 MTNR1A (0.44) CYP1A2CYP2A6SIGMAR1MTNR1A
SCHEMBL5759610 0.69 MTNR1A (0.44) CYP1A2CYP2A6SIGMAR1MTNR1A

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 13 patents. 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-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-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-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
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
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 1692/4885SIGMAR1 3537/4885
US-20210122978-A1 Liquid Crystals Comprising Cyclopentane Groups CXCR5, CCL5, ELOC CYP1A2 581/4885CYP2A6 1692/4885SIGMAR1 3537/4885
US-10745617-B2 Liquid crystals comprising cyclopentane groups CXCR5, CCL5, ELOC CYP1A2 581/4885CYP2A6 1692/4885SIGMAR1 3537/4885
US-20180163131-A1 LIQUID CRYSTALS COMPRISING CYCLOPENTANE GROUPS CXCR5, CCL5, ELOC CYP1A2 581/4885CYP2A6 1692/4885SIGMAR1 3537/4885
US-20110089374-A1 Liquid Crystals Comprising Cyclopentane Groups CXCR5, CCL5, ELOC CYP1A2 581/4885CYP2A6 1692/4885SIGMAR1 3537/4885

“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.