SCHEMBL904409

SCHEMBL904409

NCCc1cccc[n+]1[O-]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TAAR1 Q96RJ0 8/20 0.39
HTR2A P28223 2/20 0.39
CYP2A6 P11509 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
F10 P00742 3/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
F2 P00734 1/20 0.34
HRH1 P35367 1/20 0.33
HTR6 P50406 1/20 0.33
RAB9A P51151 1/20 0.33
MAOB P27338 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
SCHEMBL14732897 0.82 ALDH1A1 (0.48) ALDH1A1LMNAHTTSMN1; SMN2KDM4E
SCHEMBL31703749 0.82
SCHEMBL904420 0.82
SCHEMBL2552339 0.78 ALDH1A1 (0.46) ALDH1A1LMNAHTTKDM4ETDP1
SCHEMBL6357879 0.78 ALDH1A1 (0.46) ALDH1A1LMNAHTTSMN1; SMN2KDM4E
SCHEMBL19514701 0.76 ALDH1A1 (0.47) ALDH1A1LMNAHTTSMN1; SMN2KDM4E
SCHEMBL5234381 0.75 KCNH2 (0.46) ALDH1A1LMNAHTTKDM4ETDP1
SCHEMBL5458202 0.75 NOS1 (0.54) ALDH1A1LMNAHTTTAAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL17633943 0.75 CYP1A2 (0.47) ALDH1A1LMNAHTTKDM4ETDP1
SCHEMBL904632 0.75

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
EP-2621899-B1 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2015-10-21 EP disclosed
US-8822463-B2 Methylcyclohexane derivatives and uses thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-09-02 US disclosed
US-20130217686-A1 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-08-22 US disclosed
EP-2621899-A2 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF SK Biopharmaceuticals Co., Ltd. (KR) 2013-08-07 EP disclosed
WO-2012044046-A2 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2012-04-05 WO disclosed
US-20090105203-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INCORPORATED (US) 2009-04-23 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-20090105203-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, CCL11 ALDH1A1 933/4885LMNA 2353/4885HTT 1764/4885
US-20130217686-A1 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF OPRK1, OPRM1, OPRL1 ALDH1A1 3689/4885LMNA 2732/4885HTT 2198/4885

“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.