SCHEMBL3357339

SCHEMBL3357339

O=C1CCc2cc[c]cc2O1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAOB P27338 1/20 0.35
ALDH2 P05091 1/20 0.34
ALDH3A1 P30838 1/20 0.34

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
SCHEMBL3352688 0.85 TSHR (0.37) TSHRKDM4ECYP1A2GLACYP2C9
SCHEMBL3354708 0.82 MAOA (0.33) MAOB
Dihydrocoumarin SCHEMBL8888209 0.74 MAOB (0.48) TSHRKDM4ECYP1A2GLACYP2C9
Dihydrocoumarin SCHEMBL17629427 0.71 MAOB (0.50) TSHRKDM4ECYP1A2GLACYP2C9
Dihydrocoumarin SCHEMBL29350292 0.71 MAOB (0.50) TSHRKDM4ECYP1A2GLACYP2C9
Dihydrocoumarin SCHEMBL28795 0.71 MAOB (0.50) TSHRKDM4ECYP1A2GLACYP2C9
SCHEMBL3358107 0.71 MAOA (0.36) MAOB
SCHEMBL11194900 0.70 GAA (0.33)
Dihydrocoumarin SCHEMBL7617919 0.69 MAOB (0.48) TSHRKDM4ECYP1A2GLACYP2C9
SCHEMBL102103 0.69

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
WO-2017107052-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2017-06-29 WO disclosed
US-9382224-B2 7-acyloxychromen-4-one derivatives and the use thereof as self-tanning substances MERCK PATENT GMBH (DE) 2016-07-05 US disclosed
US-20130287716-A1 7-ACYLOXYCHROMEN-4-ONE DERIVATIVES AND THE USE THEREOF AS SELF-TANNING SUBSTANCES MERCK PATENT GMBH (DE) 2013-10-31 US disclosed
US-7696195-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 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 (2 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-20130287716-A1 7-ACYLOXYCHROMEN-4-ONE DERIVATIVES AND THE USE THEREOF AS SELF-TANNING SUBSTANCES TYR, CYP7B1, CYP46A1 TSHR 3071/4885KDM4E 1212/4885CYP1A2 54/4885
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA TSHR 436/4885KDM4E 4579/4885CYP1A2 969/4885

“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.