SCHEMBL715536

SCHEMBL715536

CC(=O)Oc1cccc(CCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ ACHE P22303 5/20 0.51
▸ PARP1 P09874 1/20 0.51
▸ BACE1 P56817 1/20 0.50
▸ PTGS2 P35354 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ ELANE P08246 1/20 0.47
▸ CNR2 P34972 1/20 0.47

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
SCHEMBL715236 0.92 LMNA (0.54) CYP3A4LMNANPC1RAB9ASMN1; SMN2
SCHEMBL10149033 0.89 SMN1; SMN2 (0.55) CYP3A4LMNANPC1RAB9ASMN1; SMN2
SCHEMBL10149053 0.89 LMNA (0.60) CYP3A4LMNAACHEPARP1ALDH1A1
SCHEMBL21225979 0.86 ALOX5 (0.57) CYP3A4LMNAACHEPARP1
SCHEMBL1561685 0.86 CYP3A4 (0.56) CYP3A4LMNAACHEPARP1PTGS2
SCHEMBL13314605 0.85 ALDH1A1 (0.55) CYP3A4LMNANPC1RAB9ASMN1; SMN2
SCHEMBL7613234 0.85 CYP3A4 (0.54) CYP3A4LMNAACHEPARP1CNR2
SCHEMBL27348013 0.85 ACHE (0.70) CYP3A4LMNAACHEPARP1
SCHEMBL717987 0.84 NPC1 (0.65) LMNANPC1RAB9ASMN1; SMN2BACE1
SCHEMBL717746 0.83 GABRA1 (0.54) CYP3A4NPC1RAB9ASMN1; SMN2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2020-06-18 — — US disclosed
US-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2020-06-18 — — US disclosed
US-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-10-06 — — US disclosed
US-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-10-06 — — US disclosed
US-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-10-06 — — US disclosed
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 — — US disclosed
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 — — US disclosed
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 — — US disclosed
EP-2391658-A1 MOLECULARLY IMPRINTED POLYMERS Commonwealth Scientific and Industrial Research Organisation (AU) 2011-12-07 — — EP disclosed
WO-2010085851-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-08-05 — — WO disclosed
EP-0306411-A2 Ethanone oximes MITSUBISHI KASEI CORPORATION (JP) 1989-03-08 — — EP disclosed
US-4579677-A CONTAINING PHENOLIC COMPOUND, OIL, CARBONYL COMPOUND, POLYCYCLIC COMPOUND, ESTER, AND ALCOHOL LEVER BROTHERS COMPANY (US) 1986-04-01 — — US disclosed
US-4469848-A POLISHES FOR FLOORS, FURNITURE AND WINDOWS LEVER BROTHERS COMPANY (US) 1984-09-04 — — US disclosed
US-4347153-A PHENOL; ALDEHYDE OR KETONE; ESTER; ALCOHOL; POLYCYCLIC COMPOUND; VEGETABLE OR SYNTHETIC OIL, EXTRACT, RESIN LEVER BROTHERS COMPANY (US) 1982-08-31 — — US disclosed
US-4343783-A FOR DEODORIZING SKIN OR HAIR LEVER BROTHERS COMPANY (US) 1982-08-10 — — US disclosed
US-4322308-A Detergent product containing deodorant compositions LEVER BROTHERS COMPANY (US) 1982-03-30 — — US disclosed
US-4304679-A NON-SOAP DETERGENTS LEVER BROTHERS COMPANY (US) 1981-12-08 — — US disclosed
US-4289641-A FOR LAUNDERING FABRICS SUBSEQUENTLY WORN IN CONTACT OF SKIN AND SWEAT GLANDS, DEODORIZING LEVER BROTHERS COMPANY (US) 1981-09-15 — — US disclosed
US-4288341-A SOAP CONTAINING LIBOXIDASE INHIBITOR LEVER BROTHERS COMPANY (US) 1981-09-08 — — US disclosed
US-4278658-A PHENOLIC COMPOUNDS, OILS, ALDEHYDES, KETONES LEVER BROTHERS COMPANY (US) 1981-07-14 — — 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 (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-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 CYP3A4 780/4885LMNA 3479/4885NPC1 3562/4885
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 CYP3A4 780/4885LMNA 3479/4885NPC1 3562/4885
US-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 CYP3A4 780/4885LMNA 3479/4885NPC1 3562/4885

“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.

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