SCHEMBL3437940

SCHEMBL3437940

O=C1CCCC/C1=C/c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP18 Q9UMW8 2/20 0.56
UCHL5 Q9Y5K5 2/20 0.56
HSP90AA1 P07900 1/20 0.56
USP2 O75604 1/20 0.56
AKR1C3 P42330 1/20 0.56
AKR1C1 Q04828 1/20 0.56
MAPT P10636 7/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 2/20 0.55
HPGD P15428 1/20 0.55
ALDH1A1 P00352 4/20 0.54
HTT P42858 2/20 0.54
CASP3 P42574 2/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
GAA P10253 3/20 0.50
KMT2A Q03164 1/20 0.50
METAP1 P53582 1/20 0.47

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
SCHEMBL29169528 1.00 USP18 (0.56) USP18UCHL5HSP90AA1USP2AKR1C3
SCHEMBL3437943 1.00 USP18 (0.56) USP18UCHL5HSP90AA1USP2AKR1C3
SCHEMBL809473 0.97 AKR1C3 (0.60) USP18UCHL5HSP90AA1USP2AKR1C3
SCHEMBL812720 0.97 AKR1C3 (0.60) USP18UCHL5HSP90AA1USP2AKR1C3
SCHEMBL29506224 0.86 USP18 (0.52) USP18UCHL5HSP90AA1USP2AKR1C3
SCHEMBL9619486 0.85 USP18 (0.67) USP18UCHL5HSP90AA1USP2MAPT
SCHEMBL9619484 0.85 USP18 (0.67) USP18UCHL5HSP90AA1USP2MAPT
SCHEMBL3437882 0.81 ALDH1A1 (0.59) HSP90AA1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL3437883 0.81 ALDH1A1 (0.59) HSP90AA1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL7835798 0.81 ALDH1A1 (0.59) HSP90AA1MAPTRAB9ASMN1; SMN2NPC1

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 4 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-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 USP18 1237/4885UCHL5 2041/4885HSP90AA1 2550/4885

“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.