Sugi Predict

Sugi Predict / Compounds / SCHEMBL4864740

SCHEMBL4864740

SCHEMBL4864740

O=C1CC[C@@H](c2ccccc2)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.63
▸ MAPT P10636 2/20 0.63
▸ SRD5A1 P18405 1/20 0.50
▸ HPGD P15428 1/20 0.49
▸ ESR2 Q92731 2/20 0.48
▸ DAPK3 O43293 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ CSF1R P07333 1/20 0.46
▸ RET P07949 1/20 0.46
▸ PRKACA P17612 1/20 0.46
▸ LTK P29376 1/20 0.46
▸ GRK5 P34947 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ MAP2K2 P36507 1/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ CSNK1A1 P48729 1/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ CLK2 P49760 1/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ GSK3B P49841 1/20 0.46

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
SCHEMBL568689 1.00 GAA (0.63) GAAMAPTSRD5A1HPGDESR2
SCHEMBL4878591 1.00 GAA (0.63) GAAMAPTSRD5A1HPGDESR2
SCHEMBL715591 0.88 MAPT (0.59) GAAMAPTSRD5A1HPGDESR2
SCHEMBL714528 0.88 MAPT (0.59) GAAMAPTSRD5A1HPGDESR2
SCHEMBL714527 0.88 MAPT (0.59) GAAMAPTSRD5A1HPGDESR2
SCHEMBL76840 0.86 ESR2 (0.63) GAAMAPTSRD5A1HPGDESR2
SCHEMBL2312546 0.86 MAPT (0.57) GAAMAPTSRD5A1HPGDESR2
SCHEMBL18980773 0.86 MAPT (0.57) GAAMAPTSRD5A1HPGDESR2
Water SCHEMBL27808263 0.84 ESR2 (0.61) GAAMAPTSRD5A1HPGDESR2
SCHEMBL3446977 0.84 MAPT (0.55) GAAMAPTSRD5A1HPGDESR2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867226-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2018-11-14 — — EP disclosed
US-10118169-B2 Chiral ligand-based metal-organic frameworks for broad-scope asymmetric catalysis THE UNIVERSITY OF CHICAGO (US) 2018-11-06 — — US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 — — US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 — — US disclosed
CN-105121429-B Complement pathway modulators and uses thereof 诺华股份有限公司 2017-12-12 — — CN disclosed
US-9815819-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2017-11-14 — — US disclosed
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 — — US disclosed
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 — — US disclosed
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 — — US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 — — US disclosed
US-20150141455-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2015-05-21 — — US disclosed
EP-2867226-A2 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF Novartis AG (CH) 2015-05-06 — — EP disclosed
WO-2014002051-A2 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2014-01-03 — — WO disclosed
US-20080125310-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-05-29 — — US disclosed
US-7323604-B2 Hydride reduction of α,β-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-01-29 — — US disclosed
US-20060161024-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-07-20 — — 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 (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-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS POF1B, FGFR1, COASY GAA 3381/4885MAPT 4198/4885SRD5A1 185/4885
US-20150141455-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF C5, C3AR1, C9 GAA 2984/4885MAPT 4002/4885SRD5A1 943/4885
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 GAA 3595/4885MAPT 3059/4885SRD5A1 900/4885
US-10118169-B2 Chiral ligand-based metal-organic frameworks for broad-scope asymmetric catalysis POF1B, FGFR1, COASY GAA 3381/4885MAPT 4198/4885SRD5A1 185/4885
US-20060161024-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts ECH1, CBR1, DHCR24 GAA 1050/4885MAPT 2535/4885SRD5A1 57/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 GAA 3595/4885MAPT 3059/4885SRD5A1 900/4885

“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.