SCHEMBL5997708

SCHEMBL5997708

COc1ccc(O)c(C(=O)C2CC=CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
KDM4E B2RXH2 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
HPGD P15428 4/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.47
HSD17B10 Q99714 3/20 0.47
TP53 P04637 2/20 0.47
ALOX12 P18054 2/20 0.47
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 2/20 0.46
FADS1 O60427 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALOX15 P16050 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45

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
SCHEMBL4126643 0.87 NPC1 (0.53) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL5995248 0.84 MAPT (0.63) RAB9AKDM4EMEN1KMT2AHPGD
SCHEMBL4115692 0.83 KDM2B (0.47) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL7861715 0.82 MAPT (0.42) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL11214722 0.82 ALDH1A1 (0.49) NPC1RAB9AKDM4EMEN1KMT2A
Bromide SCHEMBL10640715 0.81 ALDH1A1 (0.48) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL10638070 0.77 CPS1 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL4129937 0.77 MAPT (0.55) RAB9AKDM4EHPGDMAPTALDH1A1
SCHEMBL28093168 0.76 RAB9A (0.71) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL28548926 0.75 HPGD (0.58) NPC1RAB9AKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122534-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2006-10-17 US disclosed
US-20040167149-A1 Aryl fused azapolycyclic compounds PFIZER INC 2004-08-26 US disclosed
US-6706702-B2 FOR THERAPY OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS PFIZER INC. 2004-03-16 US disclosed
EP-1076650-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2004-02-04 EP disclosed
US-20030130261-A1 Aryl fused azapolycyclic compounds PFIZER INC 2003-07-10 US disclosed
US-20030008890-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2003-01-09 US disclosed
US-6462035-B1 BINDING TO NEURONAL NICOTINIC ACETYLCHOLINE SPECIFIC RECEPTOR; MODULATING CHOLINERGIC FUNCTION; REDUCING NICOTINE ADDICTION; INFLAMMATORY AND IRRITABLE BOWEL SYNDROME, SPASTIC DYSTONIA, CHRONIC AND ACUTE PAIN, EATING DISORDERS PFIZER INC. 2002-10-08 US 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-20030130261-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN3A NPC1 385/4885RAB9A 588/4885KDM4E 1075/4885
US-20030008890-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, NR3C1 NPC1 307/4885RAB9A 481/4885KDM4E 960/4885
US-20040167149-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, NR3C1 NPC1 307/4885RAB9A 481/4885KDM4E 960/4885

“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.