SCHEMBL5889466

SCHEMBL5889466

CC(C)CCn1cc(N)cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
CPB1 P15086 3/20 0.34
CPB2 Q96IY4 3/20 0.34
CPA1 P15085 1/20 0.33
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
SORT1 Q99523 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL782124 0.81 L3MBTL1 (0.41) MAPK1HSD17B10KDM4ESORT1
SCHEMBL783152 0.79 TYR (0.41) HSD17B10KDM4E
SCHEMBL780340 0.78 GPR35 (0.38) HTTLMNAMAPK1HSD17B10MEN1
SCHEMBL1840692 0.76 GAA (0.40) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL781811 0.71 TDP1 (0.45) LMNAHSD17B10MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL7049628 0.70 TDP1 (0.44) LMNAHSD17B10MEN1KMT2AKDM4E
SCHEMBL14338094 0.66 NPSR1 (0.40) HTTLMNASMN1; SMN2HSD17B10MEN1
SCHEMBL8102670 0.65 KDM4E (0.38) HSD17B10MEN1KMT2AKDM4EPOLB
SCHEMBL8657835 0.65 TYR (0.38) MAPK1HSD17B10KDM4ESORT1
SCHEMBL14310548 0.64 KDM4E (0.32) LMNAHSD17B10MEN1KMT2AKDM4E

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
US-7064218-B2 Aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2006-06-20 US disclosed
US-6906103-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-06-14 US disclosed
US-6849713-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-02-01 US disclosed
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GLAXOSMITHKLINE LLC 2003-11-13 US disclosed
CN-1439006-A Novel compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECH INC (US) 2003-08-27 CN disclosed
WO-2003057212-A1 POLYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-07-17 WO disclosed
US-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity SMITHKLINE BEECHAM CORPORATION 2003-06-26 US disclosed
EP-1294713-A2 COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-03-26 EP disclosed
WO-2002000650-A9 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECH INC (US) 2003-03-06 WO disclosed
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. 2002-03-28 US disclosed
WO-2002000650-A2 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2002-01-03 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-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 HTT 4698/4885CPB1 2985/4885CPB2 3526/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 HTT 4698/4885CPB1 2985/4885CPB2 3526/4885
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity TYR, CYP51A1, ODC1 HTT 3344/4885CPB1 4244/4885CPB2 4507/4885

“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.