SCHEMBL1767571

SCHEMBL1767571

O=[N+]([O-])c1c(-c2ccccc2)cccc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
TDP1 Q9NUW8 2/20 0.63
HPRT1 P00492 1/20 0.58
LMNA P02545 1/20 0.46
ABCC8 Q09428 1/20 0.45
KCNJ11 Q14654 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 1/20 0.42
CYP3A4 P08684 2/20 0.42
S100A4 P26447 3/20 0.41
PTPRC P08575 1/20 0.41
TSHR P16473 2/20 0.41
PTGS2 P35354 1/20 0.41
GPR35 Q9HC97 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL6396044 0.94 ALDH1A1 (0.57) ALDH1A1TDP1HPRT1LMNAABCC8
SCHEMBL29236231 0.88 ALDH1A1 (0.59) ALDH1A1TDP1HPRT1LMNAABCC8
SCHEMBL12661145 0.88 ALDH1A1 (0.55) ALDH1A1TDP1HPRT1LMNAABCC8
SCHEMBL1392515 0.88 TDP1 (0.71) ALDH1A1TDP1HPRT1MEN1KMT2A
SCHEMBL29878887 0.86 GPR35 (0.56) ALDH1A1TDP1HPRT1ABCC8KCNJ11
SCHEMBL4583260 0.86 ALDH1A1 (0.53) ALDH1A1TDP1HPRT1LMNAABCC8
SCHEMBL9107313 0.86 ALDH1A1 (0.53) ALDH1A1TDP1HPRT1LMNAABCC8
SCHEMBL2234399 0.86 ALDH1A1 (0.53) ALDH1A1TDP1HPRT1LMNAABCC8
SCHEMBL7695298 0.86 ALDH1A1 (0.53) ALDH1A1TDP1HPRT1LMNAABCC8
SCHEMBL5887502 0.86 ALDH1A1 (0.53) ALDH1A1TDP1HPRT1LMNAABCC8

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
CN-104016870-B One contains meta-terphenyl structure diamine compound and synthetic method thereof and application 中山大学 2017-01-04 CN claimed
CN-104016870-A Diamine compound with meta-terphenyl structure as well as synthetic method and application thereof UNIV SUN YAT SEN 2014-09-03 CN claimed
US-20210002270-A1 TRICYCLIC SPACER SYSTEMS FOR NONLINEAR OPTICAL DEVICES LIGHTWAVE LOGIC, INC. 2021-01-07 US disclosed
CN-109195963-A 6-hydroxy-4-oxo-1, 4-dihydropyrimidine-5-carboxamides as APJ agonists 百时美施贵宝公司 2019-01-11 CN disclosed
US-20180044333-A1 Tricyclic Spacer Systems for Nonlinear Optical Devices GOETZ JENNIFER (US) 2018-02-15 US disclosed
US-20170204091-A1 TRICYCLIC SPACER SYSTEMS FOR NONLINEAR DEVICES LIGHTWAVE LOGIC INC (US) 2017-07-20 US disclosed
US-20140121376-A1 TRICYCLIC SPACER SYSTEMS FOR NONLINEAR OPTICAL DEVICES LIGHTWAVE LOGIC, INC. (US) 2014-05-01 US disclosed
US-8298326-B2 Tricyclic spacer systems for nonlinear optical devices GOETZ SR FREDERICK J (US) 2012-10-30 US disclosed
US-20110112295-A1 TRICYCLIC SPACER SYSTEMS FOR NONLINEAR OPTICAL DEVICES Lightwave Logic Inc. (US) 2011-05-12 US disclosed
US-20080009620-A1 Tricyclic Spacer Systems For Nonlinear Optical Devices THIRD-ORDER NANOTECHNOLOGIES, INC. (US) 2008-01-10 US disclosed
EP-1805157-A2 TRICYCLIC SPACER SYSTEMS FOR NONLINEAR OPTICAL DEVICES Third-Order Nanotechnologies, Inc. (US) 2007-07-11 EP disclosed
WO-2006047772-A2 TRICYCLIC SPACER SYSTEMS FOR NONLINEAR OPTICAL DEVICES THIRD-ORDER NANOTECHNOLOGIES, INC. (US) 2006-05-04 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 (6 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-20080009620-A1 Tricyclic Spacer Systems For Nonlinear Optical Devices AQP4, CCND3, CDK14 ALDH1A1 3822/4885TDP1 2599/4885HPRT1 3334/4885
US-20140121376-A1 TRICYCLIC SPACER SYSTEMS FOR NONLINEAR OPTICAL DEVICES AQP4, CCND3, CDK14 ALDH1A1 3822/4885TDP1 2599/4885HPRT1 3334/4885
US-20170204091-A1 TRICYCLIC SPACER SYSTEMS FOR NONLINEAR DEVICES CCND3, CCNY, CCND2 ALDH1A1 3982/4885TDP1 2297/4885HPRT1 2829/4885
US-20110112295-A1 TRICYCLIC SPACER SYSTEMS FOR NONLINEAR OPTICAL DEVICES AQP4, CCND3, CDK14 ALDH1A1 3822/4885TDP1 2599/4885HPRT1 3334/4885
US-20210002270-A1 TRICYCLIC SPACER SYSTEMS FOR NONLINEAR OPTICAL DEVICES AQP4, CCND3, CDK14 ALDH1A1 3822/4885TDP1 2599/4885HPRT1 3334/4885
US-20180044333-A1 Tricyclic Spacer Systems for Nonlinear Optical Devices AQP4, CCND3, CDK14 ALDH1A1 3822/4885TDP1 2599/4885HPRT1 3334/4885

“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.