SCHEMBL3438414

SCHEMBL3438414

O=C1CCCC(c2ccco2)/C1=C/c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 5/20 0.38
CYP1A2 P05177 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.38
HPGD P15428 2/20 0.37
F3 P13726 1/20 0.36
CHRM5 P08912 6/20 0.35
CHRM3 P20309 6/20 0.35
CHRM2 P08172 5/20 0.35
CHRM4 P08173 5/20 0.35
CHRM1 P11229 5/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 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
SCHEMBL3437876 1.00 ALDH1A1 (0.42) ALDH1A1HTTMAPTCYP1A2NPSR1
SCHEMBL3437904 0.85 DYRK1A (0.43) ALDH1A1MAPTCYP1A2NPSR1LMNA
SCHEMBL3437900 0.85 DYRK1A (0.43) ALDH1A1MAPTCYP1A2NPSR1LMNA
SCHEMBL3438659 0.82 NPC1 (0.47) ALDH1A1HTTMAPTHPGDKMT2A
SCHEMBL3438034 0.82 NPC1 (0.47) ALDH1A1HTTMAPTHPGDKMT2A
SCHEMBL3438464 0.80 ALDH1A1 (0.49) ALDH1A1HTTMAPTCYP1A2NPSR1
SCHEMBL3438466 0.80 ALDH1A1 (0.49) ALDH1A1HTTMAPTCYP1A2NPSR1
SCHEMBL3438457 0.79 MAPK1 (0.41) ALDH1A1HTTMAPTLMNAHPGD
SCHEMBL3438269 0.79 MAPK1 (0.41) ALDH1A1HTTMAPTLMNAHPGD
SCHEMBL3438292 0.77 ALDH1A1 (0.41) ALDH1A1HTTMAPTCYP1A2NPSR1

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.