SCHEMBL3438441

SCHEMBL3438441

COC1CCCC(=O)C1=Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HTT P42858 1/20 0.46
AKR1C3 P42330 1/20 0.46
CYP1A2 P05177 4/20 0.44
MAPT P10636 3/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 2/20 0.40
F3 P13726 1/20 0.40
EGFR P00533 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
DUSP1 P28562 1/20 0.36
DUSP6 Q16828 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL3438440 1.00 ALDH1A1 (0.46) ALDH1A1HTTAKR1C3CYP1A2MAPT
SCHEMBL3438260 0.85 CYP1A2 (0.50) ALDH1A1AKR1C3CYP1A2MAPTHPGD
SCHEMBL3438261 0.85 CYP1A2 (0.50) ALDH1A1AKR1C3CYP1A2MAPTHPGD
SCHEMBL11506908 0.85 ALDH1A1 (0.41) ALDH1A1HTTAKR1C3CYP1A2MAPT
SCHEMBL3438394 0.84 ALDH1A1 (0.43) ALDH1A1HTTAKR1C3CYP1A2MAPT
SCHEMBL3438395 0.84 ALDH1A1 (0.43) ALDH1A1HTTAKR1C3CYP1A2MAPT
SCHEMBL27897726 0.84 AKR1C3 (0.49) ALDH1A1HTTAKR1C3CYP1A2MAPT
SCHEMBL3438437 0.84 NPC1 (0.53) ALDH1A1MAPTHPGDEGFRMEN1
SCHEMBL3438439 0.84 NPC1 (0.53) ALDH1A1MAPTHPGDEGFRMEN1
SCHEMBL3437880 0.84 ALDH1A1 (0.45) ALDH1A1HTTCYP1A2MAPTCYP2D6

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 5 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
US-4155935-A Benzylamine analgesics AMERICAN HOME PRODUCTS CORPORATION (US) 1979-05-22 US disclosed
US-4017637-A Benzylamine analgesics AMERICAN HOME PRODUCTS CORPORATION (US) 1977-04-12 US 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 2366/4885AKR1C3 86/4885

“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.