SCHEMBL9960635

SCHEMBL9960635

Cc1nn(C(C)(C)C)c(C)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.44
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
ALKBH1 Q13686 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PDE4D Q08499 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
EGLN1 Q9GZT9 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL22286223 0.81 HPGD (0.47) POLBKMT2ASMN1; SMN2HPGDKDM4E
SCHEMBL1335845 0.72 KDM4E (0.60) POLBLMNACYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL10341079 0.71 KDM4E (0.58) POLBLMNACYP1A2CYP2C9CYP2C19
SCHEMBL23399681 0.70 HPGD (0.35) POLBSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL5717566 0.69 ALDH1A1 (0.63) POLBLMNACYP2C9CYP2C19KMT2A
SCHEMBL18867444 0.69 HPGD (0.44) LMNAKMT2ASMN1; SMN2HPGD
SCHEMBL21719809 0.69 CYP2C19 (0.45) POLBLMNACYP1A2CYP2C9CYP2C19
SCHEMBL13148355 0.69 HPGD (0.37) SMN1; SMN2HPGDNPC1RAB9AMAPT
SCHEMBL1194986 0.68 MAPK1 (0.45) POLBLMNACYP2C9CYP2C19SMN1; SMN2
SCHEMBL8271720 0.68 ALDH1A1 (0.47) POLBLMNACYP1A2CYP2C9CYP2C19

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 POLB 3773/4885LMNA 3996/4885CYP1A2 1411/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG POLB 3773/4885LMNA 3996/4885CYP1A2 1411/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG POLB 3773/4885LMNA 3996/4885CYP1A2 1411/4885

“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.