SCHEMBL12427784

SCHEMBL12427784

CCCC[C@@H](C)Cc1ccc(OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.55
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
LDHA P00338 1/20 0.47
SIGMAR1 Q99720 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MMP13 P45452 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IDO1 P14902 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL28265222 0.93 SLC6A4 (0.51) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL13166017 0.89 SLC6A4 (0.58) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL13166015 0.89 SLC6A4 (0.58) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL20172543 0.89 SLC6A4 (0.58) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL28701941 0.83 BDKRB2 (0.39) SLC6A4
SCHEMBL28296170 0.82 SLC6A4 (0.69) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL13623704 0.81 SLC6A4 (0.62) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL6017470 0.81 SLC6A4 (0.62) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL27898395 0.81 TDP1 (0.49) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL27665009 0.81 SLC6A4 (0.49) SLC6A4CYP1A2CYP2D6CYP2C19LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7987539-B2 mixture 1H-Benzimidazole, 2-(4-Thiazolyl) with soap, builder, peroxide, bleach activator, hydrotropic agent, softener; treatment of hard surfaces and textile fibre materials; protection from oder, discoloration, Chaetomium globosum, geosmin; all-purpose cleaners; fungi and dust mites growth control BASF SE Ludwigshafen (DE) 2011-08-02 US disclosed
US-7700078-B2 Stabilization of body-care and household products CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-04-20 US disclosed
US-7452854-B2 Aqueous fabric softener formulations comprising copolymers of cationic acrylates and N-alkyl acrylamides CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-11-18 US disclosed
US-20080279794-A1 Use of halogenated hydroxydiphenyl ether compounds for the treatment of the skin BASCHONG WERNER 2008-11-13 US disclosed
US-20080260667-A1 Use of halogenated hydroxydiphenyl ether compounds for the treatment of the skin BASCHONG WERNER 2008-10-23 US disclosed
US-7423006-B2 Aqueous cleaning compositions comprising cationic copolymers CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-09-09 US disclosed
US-7410940-B2 Antioxidants for the stabilization of surfactant formulations CIBA SPECIALTY CHEMICALS CORP. (US) 2008-08-12 US disclosed
US-20080108540-A1 Antioxidants for the stabilization of formulations comprising surfactants HUEGLIN DIETMAR 2008-05-08 US disclosed
US-20080058393-A1 Fungicidal Detergent Compositions BASF SE (DE) 2008-03-06 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 (3 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-20080058393-A1 Fungicidal Detergent Compositions C9, C5, C1S SLC6A4 4621/4885CYP1A2 118/4885CYP2D6 368/4885
US-20080260667-A1 Use of halogenated hydroxydiphenyl ether compounds for the treatment of the skin MC1R, TYR, MC3R SLC6A4 2772/4885CYP1A2 77/4885CYP2D6 308/4885
US-20080279794-A1 Use of halogenated hydroxydiphenyl ether compounds for the treatment of the skin MC1R, TYR, MC3R SLC6A4 2772/4885CYP1A2 77/4885CYP2D6 308/4885

“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.