SCHEMBL9957488

SCHEMBL9957488

CN(C(=O)Cl)C1CCCc2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
HTT P42858 3/20 0.72
XBP1 P17861 1/20 0.72
RAB9A P51151 1/20 0.65
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SPR P35270 1/20 0.44
HTR6 P50406 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43

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
SCHEMBL14299385 0.86 ALDH1A1 (0.70) ALDH1A1HTTXBP1RAB9AMEN1
SCHEMBL659024 0.86 ALDH1A1 (0.70) ALDH1A1HTTXBP1RAB9AMEN1
SCHEMBL11743947 0.85 ALDH1A1 (0.68) ALDH1A1HTTXBP1RAB9AMEN1
SCHEMBL8231768 0.85 ALDH1A1 (0.72) ALDH1A1HTTXBP1RAB9AMEN1
SCHEMBL18701634 0.82 ALDH1A1 (0.65) ALDH1A1HTTXBP1RAB9AMEN1
SCHEMBL18711851 0.82 ALDH1A1 (0.65) ALDH1A1HTTXBP1RAB9AMEN1
SCHEMBL19658774 0.82 ALDH1A1 (0.78) ALDH1A1HTTXBP1RAB9AMEN1
SCHEMBL606142 0.79 ALDH1A1 (0.60) ALDH1A1HTTXBP1RAB9AMEN1
SCHEMBL12182270 0.79 CHRNB2 (0.60) ALDH1A1HTTXBP1RAB9A
SCHEMBL12182299 0.79 CHRNB2 (0.60) ALDH1A1HTTXBP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2015-10-15 US disclosed
US-9102687-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2015-08-11 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 ALDH1A1 2810/4885HTT 4342/4885XBP1 778/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG ALDH1A1 2810/4885HTT 4342/4885XBP1 778/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG ALDH1A1 2810/4885HTT 4342/4885XBP1 778/4885

“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.