SCHEMBL9955820

SCHEMBL9955820

CC1(C)CCCN(C(=O)Cl)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CYP2C9 P11712 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
HSPA1A P0DMV8 1/20 0.41
GAA P10253 1/20 0.41
NR4A1 P22736 1/20 0.41
DNMT1 P26358 1/20 0.41
APEX1 P27695 1/20 0.41
PTPN7 P35236 1/20 0.41
RECQL P46063 1/20 0.41
SMAD3 P84022 1/20 0.41
PTK2B Q14289 1/20 0.41

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
SCHEMBL20612530 0.94 ALDH1A1 (0.39) ALDH1A1CYP2C9MEN1KMT2ASMN1; SMN2
SCHEMBL27914158 0.82 ALDH1A1 (0.53) ALDH1A1CYP2C9MEN1KMT2ASMN1; SMN2
SCHEMBL838932 0.80 CYP3A4 (0.45) ALDH1A1CYP2C9MEN1KMT2ASMN1; SMN2
SCHEMBL15516069 0.80 ALDH1A1 (0.44) ALDH1A1CYP2C9MEN1KMT2ASMN1; SMN2
SCHEMBL9954415 0.79
SCHEMBL1197047 0.78 ALDH1A1 (0.43) ALDH1A1CYP2C9MEN1KMT2ASMN1; SMN2
SCHEMBL19917001 0.78 GRM5 (0.50) ALDH1A1CYP2C9HSD17B10GRM5SPR
SCHEMBL21138876 0.78 GRM5 (0.55) ALDH1A1CYP2C9GRM5SPRHIF1A
SCHEMBL15540704 0.78 ALDH1A1 (0.43) ALDH1A1CYP2C9MEN1KMT2ASMN1; SMN2
SCHEMBL21025576 0.78 HSD11B1 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1

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 11 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
CN-103402977-B Ingenol-3-acylate III and ingenol-3-carbamate LEO PHARMA A/S (IE) 2016-01-20 CN 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
CN-104529827-A Ingenol-3-acylates III and ingenol-3-carbamates LEO PHARMA AS 2015-04-22 CN disclosed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US disclosed
CN-103402977-A Ingenol-3-acylate III and Ingenol-3-carbamate LEO PHARMA AS 2013-11-20 CN 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 2810/4885CYP2C9 1329/4885MEN1 4175/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG ALDH1A1 2810/4885CYP2C9 1329/4885MEN1 4175/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG ALDH1A1 2810/4885CYP2C9 1329/4885MEN1 4175/4885

“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.