SCHEMBL3438121

SCHEMBL3438121

Cc1ccc(/C=C2/CCCCC2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.70
RAB9A P51151 3/20 0.67
NPC1 O15118 2/20 0.67
MAPT P10636 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
HPGD P15428 2/20 0.67
AKR1C3 P42330 1/20 0.62
AKR1C1 Q04828 1/20 0.62
ALDH1A1 P00352 1/20 0.61
HTT P42858 1/20 0.61
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
EGFR P00533 1/20 0.53
MIF P14174 2/20 0.49
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
HSD11B1 P28845 2/20 0.46
F3 P13726 2/20 0.46
CYP2C9 P11712 1/20 0.46
F2 P00734 1/20 0.45

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
SCHEMBL3438123 1.00 CYP1A2 (0.70) CYP1A2RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL13777344 1.00 CYP1A2 (0.70) CYP1A2RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL16788877 0.96 CYP1A2 (0.76) CYP1A2RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1523794 0.96 CYP1A2 (0.76) CYP1A2RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1523796 0.96 CYP1A2 (0.76) CYP1A2RAB9ANPC1MAPTSMN1; SMN2
Acetic Acid SCHEMBL6898300 0.92 CYP1A2 (0.60) CYP1A2RAB9ANPC1MAPTSMN1; SMN2
Acetic Acid SCHEMBL6898297 0.92 CYP1A2 (0.60) CYP1A2RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL10742846 0.84 HPGD (0.60) CYP1A2RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL10743967 0.84 HPGD (0.60) CYP1A2RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL10742854 0.84 HPGD (0.60) CYP1A2RAB9ANPC1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194882-A1 Process For Production of 2-Benzylphenol Compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2008-08-14 US claimed
EP-1810957-A1 METHOD FOR PRODUCING 2-BENZYLPHENOL COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2007-07-25 EP claimed
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
WO-2007072089-A1 MGLUR5 ANTAGONISTIC CARBAMOYL-OXIME DERIVATIVES RICHTER GEDEON VEGYÉSZETU GYÁR RT. (HU) 2007-06-28 WO 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 CYP1A2 17/4885RAB9A 1012/4885NPC1 4280/4885

“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.