SCHEMBL3320508

SCHEMBL3320508

CC(C)(C)CC(C)(C)c1cccc(O)c1-n1nc2ccccc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
SHBG P04278 1/20 0.33
ATM Q13315 1/20 0.33
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL27990234 0.87 RAB9A (0.38) RAB9ANPC1LMNAALDH1A1TSHR
SCHEMBL28884858 0.83 NPC1 (0.41) RAB9ANPC1LMNAALDH1A1KDM4E
SCHEMBL1956396 0.83 ALDH1A1 (0.50) RAB9ANPC1LMNAALDH1A1TSHR
SCHEMBL28894056 0.80 NPC1 (0.38) RAB9ANPC1LMNAALDH1A1TDP1
SCHEMBL2944734 0.80 NPC1 (0.40) RAB9ANPC1LMNAALDH1A1TDP1
SCHEMBL30389113 0.80 NPC1 (0.40) RAB9ANPC1LMNAALDH1A1TDP1
SCHEMBL7900910 0.79 NPC1 (0.42) RAB9ANPC1LMNAALDH1A1TSHR
SCHEMBL7141288 0.79 POLB (0.47) RAB9ANPC1LMNAALDH1A1TSHR
SCHEMBL28507848 0.78 KDM4E (0.41) RAB9ANPC1LMNAALDH1A1TSHR
SCHEMBL27622566 0.78 NPC1 (0.35) RAB9ANPC1LMNAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100119461-A1 ANTIMICROBIAL COMPOSITION MERCK PATENT GMBH (DE) 2010-05-13 US disclosed
US-6893245-B2 Apparatus for preparing an eyeglass lens having a computer system controller Q2100, INC. (US) 2005-05-17 US disclosed
US-6557734-B2 Plastic lens systems, compositions, and methods Q2100, INC. 2003-05-06 US disclosed
US-20010048002-A1 Plastic lens systems, compositions, and methods OPTICAL DYNAMICS CORP. 2001-12-06 US disclosed
EP-0683200-A1 Stabilizer composition GENERAL ELECTRIC COMPANY (US) 1995-11-22 EP 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-20100119461-A1 ANTIMICROBIAL COMPOSITION ZFR, SOD1, NISCH RAB9A 2209/4885NPC1 2025/4885LMNA 4511/4885

“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.