SCHEMBL3438487

SCHEMBL3438487

Cc1ccccc1/C=C1/CCCCC1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
NPC1 O15118 2/20 0.59
MAPT P10636 2/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TP53 P04637 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
HTT P42858 1/20 0.53
HPGD P15428 1/20 0.46
CYP26A1 O43174 1/20 0.46
ACHE P22303 1/20 0.46
TTR P02766 1/20 0.45
HSD11B1 P28845 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 1/20 0.44
NAT1 P18440 1/20 0.43

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
SCHEMBL3438489 1.00 ALDH1A1 (0.59) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL28265096 1.00 ALDH1A1 (0.59) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL29169526 0.98 ALDH1A1 (0.57) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL29169553 0.96 ALDH1A1 (0.63) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL11841277 0.87 ALDH1A1 (0.69) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL11841282 0.87 ALDH1A1 (0.69) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3438132 0.86 ALDH1A1 (0.46) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3438130 0.86 ALDH1A1 (0.46) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL11817639 0.84 ALDH1A1 (0.74) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL19050160 0.84 ALDH1A1 (0.74) ALDH1A1NPC1MAPTRAB9ASMN1; 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 ALDH1A1 1026/4885NPC1 4280/4885MAPT 4506/4885

“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.