SCHEMBL3887404

SCHEMBL3887404

CN(N)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.59
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP2A6 P11509 2/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
KEAP1 Q14145 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
AOC3 Q16853 1/20 0.42
CHEK1 O14757 1/20 0.42
NEK2 P51955 1/20 0.42
LIMK1 P53667 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL29495790 1.00 SIGMAR1 (0.59) SIGMAR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL2349 0.81 SIGMAR1 (0.63) SIGMAR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL29364795 0.81 SIGMAR1 (0.63) SIGMAR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL4141823 0.81 SIGMAR1 (0.52) SIGMAR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL6509235 0.81 SIGMAR1 (0.52) SIGMAR1CYP1A2ALDH1A1TSHRHSD17B10
SCHEMBL29555314 0.81 SIGMAR1 (0.63) SIGMAR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL1683320 0.81 SIGMAR1 (0.63) SIGMAR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL27737084 0.81 SIGMAR1 (0.63) SIGMAR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL7067991 0.81 SIGMAR1 (0.52) SIGMAR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL2173531 0.79 SIGMAR1 (0.61) SIGMAR1CYP1A2CYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370740-B2 Method for producing ester group-containing compound DIC CORPORATION (JP) 2022-06-28 US disclosed
US-7553604-B2 Cyanine compound, optical recording material, and optical recording medium ADEKA CORPORATION (JP) 2009-06-30 US disclosed
EP-1505125-B1 Cyanine compound, optical recording material, and optical recording medium ADEKA CORP (JP) 2009-01-07 EP disclosed
US-20050031993-A1 Cyanine compound, optical recording material, and optical recording medium ASAHI DENKA CO., LTD. (JP) 2005-02-10 US disclosed
EP-1505125-A1 Cyanine compound, optical recording material, and optical recording medium Asahi Denka Co., Ltd. (JP) 2005-02-09 EP disclosed
US-3952008-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 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-11370740-B2 Method for producing ester group-containing compound COASY, TAF5, TAF9 SIGMAR1 4131/4885CYP1A2 1185/4885CYP2D6 1772/4885
US-20050031993-A1 Cyanine compound, optical recording material, and optical recording medium CHRM1, KCNB1, KCNB2 SIGMAR1 718/4885CYP1A2 1206/4885CYP2D6 2612/4885

“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.