SCHEMBL984038

SCHEMBL984038

CCC(C)c1ccccc1Oc1ccccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.43
NISCH Q9Y2I1 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
BCHE P06276 1/20 0.41
TYR P14679 1/20 0.41
ACHE P22303 1/20 0.41
LMNA P02545 2/20 0.40
RORC P51449 1/20 0.40
JAK2 O60674 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL7710832 0.89 TSHR (0.57) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL984129 0.87 TSHR (0.49) TSHRGABRA1GABRB2CA1CA2
SCHEMBL982177 0.84 TSHR (0.48) TSHRGABRA1GABRB2L3MBTL1CA1
SCHEMBL980542 0.84 TSHR (0.46) TSHRGABRA1GABRB2CA1CA2
SCHEMBL983893 0.83 TSHR (0.45) TSHRGABRA1GABRB2CA1CA2
SCHEMBL984086 0.82 GABRA1 (0.59) TSHRGABRA1GABRB2KDM4ECA1
SCHEMBL282162 0.81 TSHR (1.00) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL20721726 0.81 TSHR (1.00) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL15485172 0.81 TSHR (1.00) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL11419700 0.79 TSHR (0.47) TSHRKDM4EL3MBTL1ATMNISCH

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003002081-A1 COMPOSITION COMPRISING A HYDROXYDIPHENYL ETHER DERIVATIVE INHIBITING THE DEVELOPMENT OF BODY ODOURS L'OREAL (FR) 2003-01-09 WO claimed
WO-2003002078-A1 COMPOSITIONS CONTAINING A HYDROXYDIPHENYL ETHER DERIVATIVE INHIBITING BODY ODOURS L'OREAL (FR) 2003-01-09 WO claimed
WO-2003002080-A1 COMPOSITIONS CONTAINING A DERIVATIVE OF HYDROXYDIPHENYL ETHER INHIBITING THE DEVELOPMENT OF BODY ODOURS L'OREAL (FR) 2003-01-09 WO claimed
WO-2003002079-A1 COMPOSITIONS CONTAINING A HYDROXYDIPHENYL ETHER DERIVATIVE INHIBITING BODY ODOURS L'OREAL (FR) 2003-01-09 WO claimed
WO-2003002072-A1 COMPOSITIONS CONTAINING A HYDROXYDIPHENYL ETHER DERIVATIVE INHIBITING BODY ODOURS L'ORÉAL (FR) 2003-01-09 WO claimed
EP-2275405-B1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE ASAHI CHEMICAL IND (JP) 2019-04-24 EP disclosed
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
EP-2792673-B1 Carbamic acid ester derivatives for the production of isocyanate and aromatic hydroxy compounds ASAHI CHEMICAL IND (JP) 2018-07-25 EP disclosed
US-9637445-B2 Isocyanate production process using composition containing carbamic acid ester and aromatic hydroxy compound, and composition for transfer and storage of carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-05-02 US disclosed
EP-2147909-B1 METHOD FOR PRODUCTION OF ISOCYANATE USING COMPOSITION COMPRISING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSPORT OR STORAGE OF CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2016-12-14 EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
US-20150259279-A1 Isocyanate Production Process Using Composition Containing Carbamic Acid Ester and Aromatic Hydroxy Compound, and Composition for Transfer and Storage of Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-09-17 US disclosed
US-20050203179-A1 Especially suitable for inhibiting the development of body odour in men CIBA SPECIALTY CHEMICALS CORP. 2005-09-15 US disclosed
EP-1494640-A1 USE OF HYDROXYDIPHENYL ETHER DERIVATIVES AS ARYLSULFATASE- INHIBITORS IN DEODORANTS AND ANTIPERSPIRANTS Ciba SC Holding AG (CH) 2005-01-12 EP disclosed
WO-2003086338-A1 USE OF HYDROXYDIPHENYL ETHER DERIVATIVES AS ARYLSULFATASE- INHIBITORS IN DEODORANTS AND ANTIPERSPIRANTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-10-23 WO disclosed
WO-2003002078-A1 COMPOSITIONS CONTAINING A HYDROXYDIPHENYL ETHER DERIVATIVE INHIBITING BODY ODOURS L'OREAL (FR) 2003-01-09 WO disclosed
WO-2003002081-A1 COMPOSITION COMPRISING A HYDROXYDIPHENYL ETHER DERIVATIVE INHIBITING THE DEVELOPMENT OF BODY ODOURS L'OREAL (FR) 2003-01-09 WO disclosed
WO-2003002080-A1 COMPOSITIONS CONTAINING A DERIVATIVE OF HYDROXYDIPHENYL ETHER INHIBITING THE DEVELOPMENT OF BODY ODOURS L'OREAL (FR) 2003-01-09 WO disclosed
WO-2003002072-A1 COMPOSITIONS CONTAINING A HYDROXYDIPHENYL ETHER DERIVATIVE INHIBITING BODY ODOURS L'ORÉAL (FR) 2003-01-09 WO disclosed
WO-2003002079-A1 COMPOSITIONS CONTAINING A HYDROXYDIPHENYL ETHER DERIVATIVE INHIBITING BODY ODOURS L'OREAL (FR) 2003-01-09 WO 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-20050203179-A1 Especially suitable for inhibiting the development of body odour in men SRD5A1, SRD5A2, PON1 TSHR 1849/4885GABRA1 1082/4885GABRB2 1081/4885
US-20150259279-A1 Isocyanate Production Process Using Composition Containing Carbamic Acid Ester and Aromatic Hydroxy Compound, and Composition for Transfer and Storage of Carbamic Acid Ester PAH, APEH, CPS1 TSHR 4479/4885GABRA1 2484/4885GABRB2 2619/4885

“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.