SCHEMBL182195

SCHEMBL182195

O=C1CCCC/C1=C/c1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.70
AKR1C3 P42330 1/20 0.62
AKR1C1 Q04828 1/20 0.62
NPC1 O15118 3/20 0.62
MAPT P10636 2/20 0.62
RAB9A P51151 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
HPGD P15428 1/20 0.62
ALDH1A1 P00352 3/20 0.61
HTT P42858 1/20 0.61
IKBKB O14920 1/20 0.55
EGFR P00533 2/20 0.51
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
XBP1 P17861 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 3/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
F3 P13726 2/20 0.46

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
SCHEMBL182196 1.00 HSD11B1 (0.70) HSD11B1AKR1C3AKR1C1NPC1MAPT
SCHEMBL2717308 1.00 HSD11B1 (0.70) HSD11B1AKR1C3AKR1C1NPC1MAPT
SCHEMBL176860 0.98 HSD11B1 (0.68) HSD11B1AKR1C3AKR1C1NPC1MAPT
SCHEMBL394500 0.98 HSD11B1 (0.68) HSD11B1AKR1C3AKR1C1NPC1MAPT
SCHEMBL176859 0.98 HSD11B1 (0.68) HSD11B1AKR1C3AKR1C1NPC1MAPT
SCHEMBL394499 0.98 HSD11B1 (0.68) HSD11B1AKR1C3AKR1C1NPC1MAPT
SCHEMBL257392 0.98 HSD11B1 (0.68) HSD11B1AKR1C3AKR1C1NPC1MAPT
SCHEMBL1524445 0.96 HSD11B1 (0.76) HSD11B1AKR1C3AKR1C1NPC1MAPT
SCHEMBL643540 0.96 HSD11B1 (0.76) HSD11B1AKR1C3AKR1C1NPC1MAPT
SCHEMBL643539 0.96 HSD11B1 (0.76) HSD11B1AKR1C3AKR1C1NPC1MAPT

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 20 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 claimed
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-9409845-B2 Alpha-(3,5-dimethoxybenzylidene)-alpha′-hydrocarbyl methylene cyclic ketone and preparation method thereof PHARMAXYN LABORATORIES LTD. (CN) 2016-08-09 US disclosed
US-20150259271-A1 alpha-(3,5-dimethoxybenzylidene)-alpha'-hydrocarbyl methylene cyclic ketone and preparation method thereof PHARMAXYN LABORATORIES LTD. (CN) 2015-09-17 US disclosed
EP-1735286-B1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-01-04 EP disclosed
US-7807856-B2 Process for production of 2-Benzylphenol compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-05 US disclosed
US-20090099143-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS LAGU BHARAT 2009-04-16 US disclosed
US-7452997-B2 Tetrahydro-indazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-18 US disclosed
US-20080194882-A1 Process For Production of 2-Benzylphenol Compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2008-08-14 US disclosed
EP-1931336-A1 TETRAHYDRO-INDAZOLYL CANNABINOID MODULATORS Janssen Pharmaceutica, N.V. (BE) 2008-06-18 EP disclosed
EP-1810957-A1 METHOD FOR PRODUCING 2-BENZYLPHENOL COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2007-07-25 EP disclosed
US-20070117857-A1 Substituted 3-amido-tetrahydro-indazolyl cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. 2007-05-24 US disclosed
WO-2007038045-A1 TETRAHYDRO-INDAZOLYL CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-05 WO disclosed
EP-1735286-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-27 EP disclosed
US-20050228034-A1 Tetrahydro-indazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-13 US disclosed
WO-2005095353-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-13 WO disclosed
US-5639918-A Intermediate compounds useful in the preparation of fungicidal compositions containing (benzylidene)-azolylmethyclycloalkane RHONE-POULENC AGROCHIMIE (FR) 1997-06-17 US disclosed
US-5380743-A Fungicidal compositions containing (benzylidene)-azolymethylcycloalkane RHONE-POULENC AGROCHIMIE (FR) 1995-01-10 US disclosed
US-5256683-A Plant protective agent 1H-1,2,4-triazolylmethylcycloalkane or -alkene benzylidene RHONE-POULENC AGROCHIMIE (FR) 1993-10-26 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 (5 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 HSD11B1 273/4885AKR1C3 86/4885AKR1C1 200/4885
US-20070117857-A1 Substituted 3-amido-tetrahydro-indazolyl cannabinoid modulators CNR2, CNR1, GPR18 HSD11B1 947/4885AKR1C3 2220/4885AKR1C1 3014/4885
US-20050228034-A1 Tetrahydro-indazole cannabinoid modulators CNR2, CNR1, GPR18 HSD11B1 530/4885AKR1C3 1935/4885AKR1C1 2472/4885
US-20150259271-A1 alpha-(3,5-dimethoxybenzylidene)-alpha'-hydrocarbyl methylene cyclic ketone and preparation method thereof EGFR, KDR, BMI1 HSD11B1 2469/4885AKR1C3 167/4885AKR1C1 104/4885
US-20090099143-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS CNR2, CNR1, GPR18 HSD11B1 530/4885AKR1C3 1935/4885AKR1C1 2472/4885

“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.