SCHEMBL4199640

SCHEMBL4199640

O=C(O)C1(c2ccccc2)OCOO1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.40
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
HDAC4 P56524 3/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
ALOX15 P16050 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HSD11B1 P28845 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL6896429 0.84 LMNA (0.36) AKR1C1OPRM1OPRL1LMNAALDH1A1
SCHEMBL230776 0.84 AKR1C1 (0.45) AKR1C1OPRM1OPRL1LMNAHTT
SCHEMBL8195263 0.81 AKR1C1 (0.42) AKR1C1OPRM1OPRL1LMNAHTT
SCHEMBL10353787 0.78 AKR1C1 (0.45) AKR1C1LMNAHTTHDAC4ALDH1A1
SCHEMBL20592967 0.76 AKR1C1 (0.45) AKR1C1OPRM1OPRL1LMNAHTT
SCHEMBL7082757 0.73 AKR1C1 (0.42) AKR1C1OPRM1OPRL1LMNAHTT
SCHEMBL3704068 0.73 AKR1C1 (0.38) AKR1C1OPRM1OPRL1LMNAHTT
SCHEMBL6981777 0.72 AKR1C1 (0.41) AKR1C1OPRM1OPRL1LMNAHTT
SCHEMBL4952380 0.69 LMNA (0.35) AKR1C1OPRM1OPRL1LMNAALDH1A1
SCHEMBL6982681 0.66 THRB (0.44) AKR1C1HDAC4ALDH1A1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4333877-A Substituted 2,7-dioxo-2,7-dihydrobenzo[1:2-b; 5:6-b1 ]difuran or -dipyrrole dyestuffs, their preparation and their use IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-06-08 US claimed
EP-1720851-B1 PROCESS FOR SYNTHESISING HELIOTROPINE AND ITS DERIVATIVES ENDURA SPA (IT) 2009-03-04 EP disclosed
US-7402709-B2 Process for synthesizing heliotropine and its derivatives ENDURA S.P.A. (IT) 2008-07-22 US disclosed
US-20070100167-A1 Process for synthesizing heliotropine and its derivatives ENDURA S.P.A. (IT) 2007-05-03 US disclosed
EP-1720851-A1 PROCESS FOR SYNTHESISING HELIOTROPINE AND ITS DERIVATIVES ENDURA S.p.A. (IT) 2006-11-15 EP disclosed
WO-2005042512-A1 PROCESS FOR SYNTHESISING HELIOTROPINE AND ITS DERIVATIVES ENDURA S.P.A. (IT) 2005-05-12 WO disclosed
EP-0023080-B1 SUBSTITUTED 2,7-DIOXO-2,7-DIHYDROBENZO(1:2-B; 5,6-B1)DIFURAN OR DIPYRROLE DYESTUFFS, PROCESSES FOR THEIR PREPARATION AND THEIR USE FOR THE COLOURATION OF AROMATIC POLYESTER TEXTILE MATERIALS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-07-27 EP disclosed
US-4333877-A Substituted 2,7-dioxo-2,7-dihydrobenzo[1:2-b; 5:6-b1 ]difuran or -dipyrrole dyestuffs, their preparation and their use IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-06-08 US disclosed
EP-0023080-A1 Substituted 2,7-dioxo-2,7-dihydrobenzo(1:2-b; 5,6-b1)difuran or dipyrrole dyestuffs, processes for their preparation and their use for the colouration of aromatic polyester textile materials IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-28 EP disclosed
EP-0002460-B1 PROCESS FOR THE PREPARATION OF 3,4-METHYLENDIOXYMANDELIC ACID HAARMANN & REIMER GMBH (DE) 1980-06-25 EP 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-20070100167-A1 Process for synthesizing heliotropine and its derivatives ADH1C, ADH1A, HAO2 AKR1C1 161/4885OPRM1 34/4885OPRL1 409/4885

“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.