SCHEMBL2942871

SCHEMBL2942871

CCOc1ccc(C(C)(C)C)cc1OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 4/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ALPL P05186 1/20 0.45
MAPT P10636 3/20 0.44
CYP2C19 P33261 2/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.43
ESR1 P03372 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
RECQL P46063 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
SCHEMBL12024903 0.90 KDM4E (0.56) ALDH1A1SMN1; SMN2POLBHTTNPSR1
SCHEMBL12024915 0.90 PDE4A (0.47) ALDH1A1SMN1; SMN2POLBHTTNPSR1
SCHEMBL11436470 0.86 KDM4E (0.62) ALDH1A1SMN1; SMN2POLBHTTNPSR1
SCHEMBL12251439 0.85 KDM4E (0.53) ALDH1A1SMN1; SMN2POLBHTTHSD17B10
SCHEMBL12251438 0.85 KDM4E (0.53) ALDH1A1SMN1; SMN2POLBHTTHSD17B10
SCHEMBL22820476 0.84 KDM4E (0.47) ALDH1A1SMN1; SMN2POLBHTTNPSR1
SCHEMBL6671333 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2POLBHTTNPSR1
SCHEMBL22276350 0.84 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2POLBHTTNPSR1
SCHEMBL19155962 0.83 KDM4E (0.46) ALDH1A1SMN1; SMN2POLBHTTNPSR1
SCHEMBL24467929 0.82 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBHTTNPSR1

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-0926119-A1 Dialkoxybenzene electron donors UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-06-30 EP claimed
US-10689381-B2 Vinblastine 20″ amides: synthetic analogs that maintain or improve potency and simultaneously overcome Pgp-derived efflux and resistance THE SCRIPPS RESEARCH INSTITUTE (US) 2020-06-23 US disclosed
US-20190119277-A1 VINBLASTINE 20' AMIDES: SYNTHETIC ANALOGS THAT MAINTAIN OR IMPROVE POTENCY AND SIMULTANEOUSLY OVERCOME Pgp-DERIVED EFFLUX AND RESISTANCE THE SCRIPPS RESEARCH INSTITUTE 2019-04-25 US disclosed
CN-104193857-A SELF-LIMITING CATALYST COMPOSITION WITH BIDENTATE INTERNAL DONOR DOW GLOBAL TECHNOLOGIES INC 2014-12-10 CN disclosed
CN-101945897-B Self-limiting catalyst composition with bidentate internal donors DOW GLOBAL TECHNOLOGIES INC 2014-08-20 CN disclosed
CN-101945897-A Self-limiting catalyst composition with bidentate internal donors DOW GLOBAL TECHNOLOGIES INC (US) 2011-01-12 CN disclosed
US-20100273641-A1 Self-Limiting Catalyst Composition with Non-Phthalate Internal Donor W. R. GRACE & CO.-CONN. 2010-10-28 US disclosed
EP-2225288-A1 SELF-LIMITING CATALYST COMPOSITION WITH BIDENTATE INTERNAL DONOR Dow Global Technologies Inc. (US) 2010-09-08 EP disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
WO-2009085649-A1 SELF-LIMITING CATALYST COMPOSITION WITH BIDENTATE INTERNAL DONOR DOW GLOBAL TECHNOLOGIES INC. (US) 2009-07-09 WO disclosed
EP-0922712-B1 Novel electron donor containing compositions UNION CARBIDE CHEM PLASTIC (US) 2002-12-18 EP disclosed
US-6399837-B1 POLYMERIZATION CATALYST FOR OLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2002-06-04 US disclosed
US-6124507-A USED IN THE MANUFACTURE OF OLEFIN POLYMERIZATION CATALYSTS WITH PROCATALYSTS HAVING MAGNESIUM, TITANIUM AND HALIDE AS ESSENTIAL COMPONENTS. 1-ETHOXY-2-ALKOXY-4,5,6-OPTIONALLY SUBSTITUTED BENZENES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2000-09-26 US disclosed
US-5968865-A COORDINATION CATALYST COMPRISING MAGNESIUM, TITANIUM, HALIDE, AND 1,2-DIALKOXYBENZENE COMPOUNDS; OLEFIN POLYMERIZATION CATALYSTS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-10-19 US disclosed
EP-0926119-A1 Dialkoxybenzene electron donors UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-06-30 EP disclosed
EP-0922712-A1 Novel electron donor containing compositions UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-06-16 EP 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 (3 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF ALDH1A1 2506/4885SMN1; SMN2 4525/4885POLB 4172/4885
US-10689381-B2 Vinblastine 20″ amides: synthetic analogs that maintain or improve potency and simultaneously overcome Pgp-derived efflux and resistance ABCG2, ABCC1, GLS ALDH1A1 633/4885SMN1; SMN2 1963/4885POLB 386/4885
US-20190119277-A1 VINBLASTINE 20' AMIDES: SYNTHETIC ANALOGS THAT MAINTAIN OR IMPROVE POTENCY AND SIMULTANEOUSLY OVERCOME Pgp-DERIVED EFFLUX AND RESISTANCE ABCG2, ABCC1, GLS ALDH1A1 642/4885SMN1; SMN2 1998/4885POLB 385/4885

“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.