SCHEMBL3438416

SCHEMBL3438416

O=C1CCCCC1=Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
HTT P42858 1/20 0.61
EGFR P00533 5/20 0.54
AKR1B1 P15121 1/20 0.52
MMP3 P08254 1/20 0.50
MMP13 P45452 1/20 0.50
MGAM O43451 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
GPR18 Q14330 2/20 0.46
CYP1A2 P05177 2/20 0.46
F3 P13726 1/20 0.46
CNR1 P21554 1/20 0.46
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
PARP1 P09874 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL3438415 1.00 ALDH1A1 (0.61) ALDH1A1HTTEGFRAKR1B1MMP3
SCHEMBL3438448 0.86 ALDH1A1 (0.67) ALDH1A1HTTEGFRAKR1B1MMP3
SCHEMBL3438446 0.86 ALDH1A1 (0.67) ALDH1A1HTTEGFRAKR1B1MMP3
SCHEMBL28430681 0.84 EGFR (0.72) ALDH1A1HTTEGFRAKR1B1NPC1
SCHEMBL3138953 0.84 EGFR (0.72) ALDH1A1HTTEGFRAKR1B1NPC1
SCHEMBL3438262 0.84 EGFR (0.72) ALDH1A1HTTEGFRAKR1B1NPC1
SCHEMBL3438311 0.82 MAOB (0.58) ALDH1A1HTTMMP13GPR18CNR1
SCHEMBL3438309 0.82 MAOB (0.58) ALDH1A1HTTMMP13GPR18CNR1
SCHEMBL29169534 0.82 EGFR (0.70) ALDH1A1HTTEGFRAKR1B1NPC1
SCHEMBL30825569 0.82 EGFR (0.70) ALDH1A1HTTEGFRAKR1B1NPC1

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 2366/4885EGFR 3278/4885

“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.