SCHEMBL3438241

SCHEMBL3438241

CC1CCC(=O)C(=Cc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HTT P42858 3/20 0.54
CYP1A2 P05177 3/20 0.50
F3 P13726 1/20 0.47
MAPT P10636 7/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPK1 P28482 2/20 0.45
HSP90AA1 P07900 1/20 0.45
LMNA P02545 3/20 0.44
MITF O75030 1/20 0.44
NSD2 O96028 1/20 0.44
ATM Q13315 1/20 0.44
MAOB P27338 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MGAM O43451 2/20 0.41

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
SCHEMBL3438240 1.00 ALDH1A1 (0.54) ALDH1A1HTTCYP1A2F3MAPT
SCHEMBL3438471 0.87 ALDH1A1 (0.54) ALDH1A1HTTCYP1A2F3MAPT
SCHEMBL3438472 0.87 ALDH1A1 (0.54) ALDH1A1HTTCYP1A2F3MAPT
SCHEMBL3438119 0.85 CYP1A2 (0.51) ALDH1A1HTTCYP1A2MAPTHPGD
SCHEMBL3438117 0.85 CYP1A2 (0.51) ALDH1A1HTTCYP1A2MAPTHPGD
SCHEMBL3437944 0.84 AKR1C3 (0.57) ALDH1A1HTTMAPTHPGDNPC1
SCHEMBL3438039 0.84 HSD11B1 (0.53) ALDH1A1HTTCYP1A2MAPTHPGD
SCHEMBL3437941 0.84 AKR1C3 (0.57) ALDH1A1HTTMAPTHPGDNPC1
SCHEMBL3438038 0.84 HSD11B1 (0.53) ALDH1A1HTTCYP1A2MAPTHPGD
SCHEMBL6261919 0.81 MAPT (0.61) ALDH1A1HTTCYP1A2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0378953-B1 Benzylidene azolyl methyl cycloalkane and its use as a fungicide RHONE POULENC AGROCHIMIE (FR) 1996-06-05 EP claimed
EP-0164598-A2 Photosensitive resin composition and process for forming photo-resist pattern using the same NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1985-12-18 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
EP-0378953-B1 Benzylidene azolyl methyl cycloalkane and its use as a fungicide RHONE POULENC AGROCHIMIE (FR) 1996-06-05 EP disclosed
EP-0164598-A2 Photosensitive resin composition and process for forming photo-resist pattern using the same NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1985-12-18 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.