SCHEMBL3438424

SCHEMBL3438424

C[Si](C)(C)C1CCCC(=O)/C1=C\c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 5/20 0.44
CYP1A2 P05177 4/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 5/20 0.40
F3 P13726 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
DUSP1 P28562 1/20 0.36
DUSP6 Q16828 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL3438425 1.00 ALDH1A1 (0.46) ALDH1A1HTTMAPTCYP1A2CYP2D6
SCHEMBL3438547 0.83 CYP1A2 (0.48) ALDH1A1MAPTCYP1A2LMNASMN1; SMN2
SCHEMBL3438546 0.83 CYP1A2 (0.48) ALDH1A1MAPTCYP1A2LMNASMN1; SMN2
SCHEMBL3438430 0.82 NPC1 (0.51) ALDH1A1HTTMAPTNPSR1HPGD
SCHEMBL3438428 0.82 NPC1 (0.51) ALDH1A1HTTMAPTNPSR1HPGD
SCHEMBL3438388 0.80 ALDH1A1 (0.50) ALDH1A1HTTMAPTCYP1A2CYP2D6
SCHEMBL3438389 0.80 ALDH1A1 (0.50) ALDH1A1HTTMAPTCYP1A2CYP2D6
SCHEMBL3438395 0.78 ALDH1A1 (0.43) ALDH1A1HTTMAPTCYP1A2CYP2D6
SCHEMBL3438394 0.78 ALDH1A1 (0.43) ALDH1A1HTTMAPTCYP1A2CYP2D6
SCHEMBL3437938 0.78 KMT2A (0.44) ALDH1A1MAPTLMNASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807856-B2 Process for production of 2-Benzylphenol compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-05 US disclosed
US-20080194882-A1 Process For Production of 2-Benzylphenol Compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2008-08-14 US disclosed
EP-1810957-A1 METHOD FOR PRODUCING 2-BENZYLPHENOL COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2007-07-25 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-20080194882-A1 Process For Production of 2-Benzylphenol Compound CYP1B1, CYP4B1, CYP1A1 ALDH1A1 1026/4885HTT 2366/4885MAPT 4506/4885

“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.