SCHEMBL3438340

SCHEMBL3438340

O=C1CCCCC1=Cc1ccccc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
HTT P42858 2/20 0.54
CYP26A1 O43174 1/20 0.50
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
KMT2A Q03164 1/20 0.43
HSD11B1 P28845 1/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CCR3 P51677 1/20 0.42
FLT3 P36888 2/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3438339 1.00 ALDH1A1 (0.54) ALDH1A1HTTCYP26A1ACHEBACE1
SCHEMBL8885438 0.97 ALDH1A1 (0.59) ALDH1A1HTTCYP26A1ACHEBACE1
SCHEMBL8885443 0.97 ALDH1A1 (0.59) ALDH1A1HTTCYP26A1ACHEBACE1
SCHEMBL28266399 0.78 ALDH1A1 (0.56) ALDH1A1HTTACHEBACE1KMT2A
SCHEMBL3438268 0.77 ALDH1A1 (0.44) ALDH1A1HTTKMT2AHSD11B1MAPT
SCHEMBL3438118 0.77 ALDH1A1 (0.44) ALDH1A1HTTKMT2AHSD11B1MAPT
SCHEMBL3438265 0.77 ALDH1A1 (0.44) ALDH1A1HTTKMT2AHSD11B1MAPT
SCHEMBL3438483 0.77 ALDH1A1 (0.44) ALDH1A1HTTKMT2AHSD11B1MAPT
SCHEMBL3438544 0.76 ALDH1A1 (0.53) ALDH1A1HTTKMT2AHSD11B1MAPT
SCHEMBL3438248 0.76 HSD11B1 (0.72) ALDH1A1HTTCYP26A1KMT2AHSD11B1

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 2366/4885CYP26A1 148/4885

“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.