Sugi Predict

Sugi Predict / Compounds / SCHEMBL910428

SCHEMBL910428

SCHEMBL910428

CCc1ccc(CCC=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GPR84 Q9NQS5 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP2A6 P11509 1/20 0.38
▸ LPL P06858 1/20 0.38
▸ LIPG Q9Y5X9 1/20 0.38
▸ MGLL Q99685 2/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ EGFR P00533 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9671868 0.87 HIF1A (0.37) ALDH1A1LMNACA2
SCHEMBL5253771 0.86 TAAR1 (0.46) TAAR1ALDH1A1L3MBTL1GPR84LMNA
SCHEMBL910882 0.86 THRB (0.47) ALDH1A1L3MBTL1GPR84CA2MAPT
SCHEMBL11204532 0.85 TAAR1 (0.45) TAAR1ALDH1A1LMNATP53CA2
SCHEMBL8161742 0.82 ALDH1A1 (0.52) ALDH1A1LMNATP53CA2HPGD
SCHEMBL364888 0.81 CYP2A6 (0.50) TAAR1ALDH1A1L3MBTL1GPR84CA2
SCHEMBL11953542 0.80 MCL1 (0.45) ALDH1A1L3MBTL1CA2MAPTLPL
SCHEMBL5252411 0.80 ESR1 (0.53) ALDH1A1LMNATP53CA2LPL
SCHEMBL10012084 0.80 HRH3 (0.41) GPR84LMNATSHR
Propionaldehyde SCHEMBL27616242 0.79 ALDH1A1 (0.53) TAAR1ALDH1A1L3MBTL1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102300550-A Perfume systems — 2011-12-28 — — CN claimed
EP-0731717-B1 ANTI-SMOKE PERFUMES AND COMPOSITIONS QUEST INT (NL) 2002-07-31 — — EP claimed
CN-110156817-B Anti-tumor derivative of bi-evodiamine molecule and preparation and application thereof 中国人民解放军第二军医大学 2024-02-27 — — CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 — — EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 — — EP disclosed
CN-105164125-A 2-phenyl or 2-heteroaryl imidazo [1, 2-a ] pyridine derivatives HOFFMANN LA ROCHE 2015-12-16 — — CN disclosed
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 — — US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 — — US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 — — EP disclosed
US-20090099228-A1 PYRAZOLO-TETRAHYDRO PYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2009-04-16 — — US disclosed
US-20090099228-A1 PYRAZOLO-TETRAHYDRO PYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2009-04-16 — — US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 — — EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 — — EP disclosed
WO-2007122591-A2 PYRAZOLO-TETRAHYDRO PYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-11-01 — — WO disclosed
EP-0731717-B1 ANTI-SMOKE PERFUMES AND COMPOSITIONS QUEST INT (NL) 2002-07-31 — — EP disclosed
EP-0661986-A4 BRAIN-ENHANCED DELIVERY OF NEUROACTIVE PEPTIDES BY SEQUENTIAL METABOLISM. UNIV FLORIDA (US) 1997-04-23 — — EP disclosed
EP-0661986-A1 BRAIN-ENHANCED DELIVERY OF NEUROACTIVE PEPTIDES BY SEQUENTIAL METABOLISM UNIVERSITY OF FLORIDA (US) 1995-07-12 — — EP disclosed
WO-1994006450-A1 BRAIN-ENHANCED DELIVERY OF NEUROACTIVE PEPTIDES BY SEQUENTIAL METABOLISM UNIVERSTIY OF FLORIDA (US) 1994-03-31 — — 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 (1 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-20090099228-A1 PYRAZOLO-TETRAHYDRO PYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR TAAR1 102/4885ALDH1A1 3242/4885L3MBTL1 4458/4885

“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.