SCHEMBL3438303

SCHEMBL3438303

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

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.93
AKR1C1 Q04828 1/20 0.93
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MAPT P10636 1/20 0.62
HPGD P15428 1/20 0.62
ALDH1A1 P00352 2/20 0.61
HTT P42858 1/20 0.61
EGFR P00533 2/20 0.51
MAOB P27338 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 3/20 0.46
PLAU P00749 2/20 0.46
PLAT P00750 1/20 0.46
HSD11B1 P28845 2/20 0.46
F3 P13726 2/20 0.46
CYP2C9 P11712 1/20 0.46
F2 P00734 4/20 0.45

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
SCHEMBL3438304 1.00 AKR1C3 (0.93) AKR1C3AKR1C1NPC1RAB9ASMN1; SMN2
SCHEMBL9584524 1.00 AKR1C3 (0.93) AKR1C3AKR1C1NPC1RAB9ASMN1; SMN2
SCHEMBL8882874 0.98 AKR1C3 (0.89) AKR1C3AKR1C1NPC1RAB9ASMN1; SMN2
SCHEMBL8882867 0.98 AKR1C3 (0.89) AKR1C3AKR1C1NPC1RAB9ASMN1; SMN2
SCHEMBL21612350 0.96 AKR1C3 (1.00) AKR1C3AKR1C1NPC1RAB9ASMN1; SMN2
SCHEMBL625345 0.96 AKR1C3 (1.00) AKR1C3AKR1C1NPC1RAB9ASMN1; SMN2
SCHEMBL1524671 0.96 AKR1C3 (1.00) AKR1C3AKR1C1NPC1RAB9ASMN1; SMN2
SCHEMBL8886352 0.87 AKR1C3 (0.81) AKR1C3AKR1C1NPC1RAB9ASMN1; SMN2
SCHEMBL11841748 0.86 AKR1C3 (0.70) AKR1C3AKR1C1NPC1RAB9ASMN1; SMN2
SCHEMBL11841756 0.86 AKR1C3 (0.70) AKR1C3AKR1C1NPC1RAB9ASMN1; 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 13 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-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-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
US-4587261-A FATTENING AGENTS FOR ANIMALS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1986-05-06 US disclosed
US-4261988-A ANTICHOLESTEROL AGENTS USED IN ANIMAL HUSBANDRY BAYER AKTIENGESELLSCHAFT (DE) 1981-04-14 US disclosed
US-4083978-A ANTIEPILEPTIC, TETRABENAZINE-ANTAGONISTIC, NICOTINE-LETHALITY INHIBITING EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1978-04-11 US disclosed
US-4077999-A ANALGESIC, SPASMOLYTIC EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1978-03-07 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 AKR1C3 86/4885AKR1C1 200/4885NPC1 4280/4885

“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.