SCHEMBL3438512

SCHEMBL3438512

CCCCCCc1ccc(C=C2CCCCC2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
AKR1C3 P42330 1/20 0.50
AKR1C1 Q04828 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.49
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
EGFR P00533 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
SHBG P04278 1/20 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
SCHEMBL3438510 1.00 NPC1 (0.54) NPC1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL3438219 0.94 HPGD (0.56) NPC1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL3438220 0.94 HPGD (0.56) NPC1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL3438571 0.88 NPC1 (0.59) NPC1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL3438570 0.88 NPC1 (0.59) NPC1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL3438271 0.85 ALDH1A1 (0.47) NPC1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL3438273 0.85 ALDH1A1 (0.47) NPC1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL3438451 0.82 MAPT (0.50) NPC1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL3438449 0.82 MAPT (0.50) NPC1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL3438438 0.81 NPC1 (0.63) NPC1MAPTHPGDRAB9ASMN1; 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 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 NPC1 4280/4885MAPT 4506/4885HPGD 474/4885

“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.