SCHEMBL2291817

SCHEMBL2291817

CC(C)(C)c1cc(C(C)(C)C)c(OCc2ccccc2Br)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
PARP10 Q53GL7 1/20 0.38
AR P10275 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
FFAR1 O14842 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
TSHR P16473 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35

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
SCHEMBL2290594 0.86 IDO1 (0.46) IDO1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL2291232 0.82 ALDH1A1 (0.47) IDO1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL2289307 0.79 ALDH1A1 (0.44) IDO1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL2294685 0.78 ALDH1A1 (0.36) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6473455 0.78 THRB (0.46) MAPTALDH1A1SMN1; SMN2THRATHRB
SCHEMBL2293075 0.76 ALDH1A1 (0.53) IDO1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL2294503 0.76 PARP10 (0.55) IDO1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2294476 0.76 SOD1 (0.55) IDO1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL20008392 0.76 ALDH1A1 (0.52) IDO1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL2295181 0.72 SCN2A (0.39) MAPTALDH1A1SMN1; SMN2HTTTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2149545-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-10-05 EP disclosed
US-7994367-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-09 US disclosed
US-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
EP-2149545-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-03 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-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, C9, TRPA1 IDO1 778/4885MAPT 3284/4885ALDH1A1 83/4885

“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.