SCHEMBL687567

SCHEMBL687567

CCc1cc(CC)c(CC)c(O)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
DHFR P00374 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
BACE1 P56817 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA4 P48169 1/20 0.32

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
SCHEMBL8371103 0.84 GABRA1 (0.46) GABRA1GABRB2SMN1; SMN2DHFRBACE1
SCHEMBL19972051 0.83 GABRA1 (0.38) HTTPOLBGABRA1GABRB2SMN1; SMN2
SCHEMBL393744 0.79 HTT (0.43) HTTPOLBGABRA1GABRB2SMN1; SMN2
SCHEMBL11209888 0.79 GABRA1 (0.42) GABRA1GABRB2SMN1; SMN2DHFRBACE1
SCHEMBL395350 0.79 HTT (0.41) HTTPOLBGABRA1GABRB2SMN1; SMN2
SCHEMBL117142 0.79 HTT (0.46) HTTPOLBGABRA1GABRB2SMN1; SMN2
SCHEMBL12339821 0.75 DHFR (0.38) HTTPOLBGABRA1GABRB2SMN1; SMN2
SCHEMBL25328782 0.75 GABRA1 (0.42) GABRA1GABRB2SMN1; SMN2DHFRALDH1A1
SCHEMBL1179824 0.75 ALOX15 (0.45) HTTPOLBGABRA1GABRB2SMN1; SMN2
SCHEMBL31092542 0.75 GABRA1 (0.42) GABRA1GABRB2SMN1; SMN2DHFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957241-B2 Aromatic diamine, an intermediate therefor, a method for producing the aromatic diamine, and a method for producing the intermediate therefor SEIKA CORPORATION (JP) 2018-05-01 US disclosed
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR SEIKA CORPORATION (JP) 2018-03-22 US disclosed
EP-1637122-B1 2-(Amino or substituted Amino)-3-5-6-substituted Phenol compounds, dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2012-02-29 EP disclosed
EP-1637122-A1 2-(Amino or substituted Amino)-3-5-6-substituted Phenol compounds, dyeing compositions containing them, and use thereof The Procter & Gamble Company (US) 2006-03-22 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-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR WEE1, WEE2, WASF2 HTT 3592/4885POLB 2855/4885GABRA1 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.