SCHEMBL3438394

SCHEMBL3438394

C[Si](C)(C)OC1CCCC(=O)/C1=C\c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 4/20 0.41
MAPT P10636 4/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 2/20 0.38
F3 P13726 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
EGFR P00533 1/20 0.35
DUSP1 P28562 1/20 0.34
DUSP6 Q16828 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL3438395 1.00 ALDH1A1 (0.43) ALDH1A1HTTCYP1A2MAPTCYP2D6
SCHEMBL3437918 0.85 CYP1A2 (0.46) ALDH1A1CYP1A2MAPTSMN1; SMN2NPSR1
SCHEMBL3437916 0.85 CYP1A2 (0.46) ALDH1A1CYP1A2MAPTSMN1; SMN2NPSR1
SCHEMBL3438440 0.84 ALDH1A1 (0.46) ALDH1A1HTTCYP1A2MAPTCYP2D6
SCHEMBL3438441 0.84 ALDH1A1 (0.46) ALDH1A1HTTCYP1A2MAPTCYP2D6
SCHEMBL3438465 0.84 NPC1 (0.49) ALDH1A1HTTMAPTNPSR1HPGD
SCHEMBL3438463 0.84 NPC1 (0.49) ALDH1A1HTTMAPTNPSR1HPGD
SCHEMBL3438179 0.81 KMT2A (0.42) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL3438178 0.81 KMT2A (0.42) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL27897726 0.81 AKR1C3 (0.49) ALDH1A1HTTCYP1A2MAPTCYP2D6

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 2366/4885CYP1A2 17/4885

“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.