SCHEMBL9960710

SCHEMBL9960710

COc1cccc(N(C)C(=O)OC2=CC(O)c3ccccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 13/20 0.44
HSD17B1 P14061 11/20 0.44
GPBAR1 Q8TDU6 1/20 0.41
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 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
SCHEMBL9960651 0.86 HSD17B1 (0.41) HSD17B2HSD17B1GPBAR1
SCHEMBL9960496 0.85 RAB9A (0.46)
SCHEMBL9960782 0.85 GPBAR1 (0.39) HSD17B2HSD17B1GPBAR1
SCHEMBL9960807 0.79 LMNA (0.47) GPBAR1
SCHEMBL9960717 0.79 RAB9A (0.36) GPBAR1
SCHEMBL9960567 0.78 LIPE (0.41) GPBAR1
SCHEMBL9960629 0.77 RAB9A (0.42)
SCHEMBL9960584 0.76 CHRNB2 (0.42) GPBAR1
SCHEMBL9960699 0.75 LIPE (0.39) HSD17B2HSD17B1GPBAR1
SCHEMBL9960719 0.74 MEN1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3490998-B1 PHENOLATE TRANSITION METAL COMPLEXES, PRODUCTION AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC (US) 2021-05-26 EP claimed
EP-3274353-B1 BISPHENOLATE TRANSITION METAL COMPLEXES, PRODUCTION AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC (US) 2021-03-31 EP claimed
EP-3022235-B1 METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM EXXONMOBIL CHEMICAL PATENTS INC (US) 2020-04-08 EP claimed
EP-2882810-B1 CATALYSTS COMPRISING SALAN LIGANDS EXXONMOBIL CHEMICAL PATENTS INC (US) 2018-01-17 EP claimed
EP-2880098-B1 HALOGENATED CATALYSTS COMPRISING SALAN LIGANDS EXXONMOBIL CHEMICAL PATENTS INC (US) 2018-01-10 EP claimed
EP-2655323-B1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LTD (IE) 2017-12-20 EP claimed
EP-2880006-B1 NON-SYMMETRIC CATALYSTS COMPRISING SALAN LIGANDS EXXONMOBIL CHEMICAL PATENTS INC (US) 2017-12-20 EP claimed
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2017-08-03 US claimed
US-9708286-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2017-07-18 US claimed
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2015-10-15 US claimed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US claimed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP claimed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO claimed
EP-2655323-B1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LTD (IE) 2017-12-20 EP disclosed
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2017-08-03 US disclosed
US-9708286-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2017-07-18 US disclosed
US-20150133543-A1 TOPICAL GEL COMPOSITION COMPRISING AN INGENOL DERIVATIVE AND A SOLVENT MIXTURE LEO LABORATORIES LIMITED (IE) 2015-05-14 US disclosed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US disclosed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 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 (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-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG HSD17B2 2212/4885HSD17B1 1501/4885GPBAR1 339/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG HSD17B2 2212/4885HSD17B1 1501/4885GPBAR1 339/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG HSD17B2 2212/4885HSD17B1 1501/4885GPBAR1 339/4885

“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.