SCHEMBL18737149

SCHEMBL18737149

CCCCCCC(C)(C)CCCN(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.39
PLA2G2A P14555 1/20 0.39
KCNH2 Q12809 11/20 0.38
SIGMAR1 Q99720 1/20 0.37
DNM1 Q05193 3/20 0.36
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
CACNA2D1 P54289 1/20 0.33
GGPS1 O95749 1/20 0.33

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
SCHEMBL18737014 0.91 SIGMAR1 (0.35) PLA2G1BPLA2G2AKCNH2SIGMAR1CACNA2D1
SCHEMBL10284380 0.87 SIGMAR1 (0.41) PLA2G1BPLA2G2AKCNH2SIGMAR1DNM1
SCHEMBL21016188 0.84 SIGMAR1 (0.42) KCNH2SIGMAR1CACNA2D1
SCHEMBL20076614 0.83 PLA2G1B (0.37) PLA2G1BPLA2G2AKCNH2SIGMAR1DNM1
SCHEMBL20856568 0.81 TSHR (0.53) TSHRTHRBGGPS1
SCHEMBL21549958 0.81 TSHR (0.53) TSHRTHRBGGPS1
SCHEMBL8159115 0.81 TSHR (0.53) TSHRTHRBGGPS1
SCHEMBL20856453 0.81 TSHR (0.53) TSHRTHRBGGPS1
SCHEMBL20856434 0.81 TSHR (0.53) TSHRTHRBGGPS1
SCHEMBL20856432 0.81 TSHR (0.53) TSHRTHRBGGPS1

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-10647747-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2020-05-12 US disclosed
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2018-04-19 US disclosed
US-9890198-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2018-02-13 US disclosed
US-20170101445-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. 2017-04-13 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-10647747-B2 Cyclosporin derivatives and uses thereof FKBP5, FKBP1B, MALT1 PLA2G1B 4676/4885PLA2G2A 4850/4885KCNH2 3551/4885
US-20170101445-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION HAVCR2, TSLP, HLA-DRB1 PLA2G1B 4397/4885PLA2G2A 4613/4885KCNH2 3139/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 PLA2G1B 4667/4885PLA2G2A 4836/4885KCNH2 3628/4885

“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.