SCHEMBL16637545

SCHEMBL16637545

Cc1ccc(C=C2COCC(=Cc3ccc(C)cc3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
RECQL P46063 1/20 0.41
MDM2 Q00987 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 3/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
CYP2A6 P11509 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
RELA Q04206 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL8356328 0.75 CYP1A2 (0.52) CYP1A2RAB9AKDM4EMAPTPOLB
SCHEMBL16637650 0.72 USP18 (0.46) RAB9AMAPTTDP1KMT2AMEN1
SCHEMBL17684483 0.71 CYP1A2 (0.53) CYP1A2RAB9AKDM4EMAPTPOLB
SCHEMBL31003382 0.70 MAOA (0.41) RAB9AMAPTPOLBTDP1KMT2A
SCHEMBL31611710 0.70 AKR1C3 (0.46) KDM4EMAPTPIM1PIM2CYP2A6
SCHEMBL31378307 0.70 CYP2A6 (0.41) KDM4ETDP1CYP2A6SMN1; SMN2ALDH1A1
SCHEMBL31003275 0.67 LMNA (0.40) RAB9AKDM4EMAPTL3MBTL1KMT2A
SCHEMBL19228790 0.67 CYP1A2 (0.53) CYP1A2RAB9AKDM4EMAPTPOLB
SCHEMBL31596795 0.67 GUSB (0.41) CYP1A2RAB9AMAPTTDP1SMN1; SMN2
SCHEMBL19228792 0.65 CYP1A2 (0.43) CYP1A2RAB9AKDM4EMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160250303-A1 PERFORIN-2 ACTIVATORS AND INHIBITORS AS DRUG TARGETS FOR INFECTIOUS DISEASE AND GUT INFLAMMATION UNIV MIAMI (US) 2016-09-01 US claimed
EP-3054946-A2 PERFORIN-2 ACTIVATORS AND INHIBITORS AS DRUG TARGETS FOR INFECTIOUS DISEASE AND GUT INFLAMMATION University Of Miami (US) 2016-08-17 EP claimed
WO-2015054374-A2 PERFORIN-2 ACTIVATORS AND INHIBITORS AS DRUG TARGETS FOR INFECTIOUS DISEASE AND GUT INFLAMMATION UNIVERSITY OF MIAMI (US) 2015-04-16 WO claimed
US-20160250303-A1 PERFORIN-2 ACTIVATORS AND INHIBITORS AS DRUG TARGETS FOR INFECTIOUS DISEASE AND GUT INFLAMMATION UNIV MIAMI (US) 2016-09-01 US disclosed
EP-3054946-A2 PERFORIN-2 ACTIVATORS AND INHIBITORS AS DRUG TARGETS FOR INFECTIOUS DISEASE AND GUT INFLAMMATION University Of Miami (US) 2016-08-17 EP disclosed
WO-2015054374-A2 PERFORIN-2 ACTIVATORS AND INHIBITORS AS DRUG TARGETS FOR INFECTIOUS DISEASE AND GUT INFLAMMATION UNIVERSITY OF MIAMI (US) 2015-04-16 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 (1 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-20160250303-A1 PERFORIN-2 ACTIVATORS AND INHIBITORS AS DRUG TARGETS FOR INFECTIOUS DISEASE AND GUT INFLAMMATION PRF1, GZMB, PSME2 CYP1A2 1640/4885RAB9A 2013/4885KDM4E 3007/4885

“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.