SCHEMBL24013256

SCHEMBL24013256

CCCCCNCCCNC(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42
S1PR2 O95136 5/20 0.41
S1PR4 O95977 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR5 Q9H228 1/20 0.41
EPHX1 P07099 3/20 0.39
SIGMAR1 Q99720 1/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
RELA Q04206 4/20 0.37

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
SCHEMBL19442065 0.98 TSHR (0.65) TSHRALDH1A1CYP2C19CYP1A2MEN1
SCHEMBL19442178 0.95 TSHR (0.62) TSHRALDH1A1CYP2C19CYP1A2S1PR2
SCHEMBL19442039 0.95 TSHR (0.62) TSHRALDH1A1CYP2C19CYP1A2S1PR2
SCHEMBL18935662 0.93 TSHR (0.59) TSHRALDH1A1CYP2C19CYP1A2MEN1
SCHEMBL18935663 0.93 TSHR (0.59) TSHRALDH1A1CYP2C19CYP1A2MEN1
SCHEMBL18935655 0.93 TSHR (0.59) TSHRALDH1A1CYP2C19CYP1A2MEN1
SCHEMBL18935661 0.93 TSHR (0.59) TSHRALDH1A1CYP2C19CYP1A2MEN1
SCHEMBL18935657 0.93 TSHR (0.59) TSHRALDH1A1CYP2C19CYP1A2MEN1
SCHEMBL18935659 0.93 TSHR (0.59) TSHRALDH1A1CYP2C19CYP1A2MEN1
SCHEMBL18553116 0.93 TSHR (0.50) TSHRALDH1A1CYP2C19CYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210348169-A1 METHODS FOR TREATING AGING AND SKIN DISORDERS USING NUCLEIC ACIDS TARGETING TYR OR MMP1 PHIO PHARMACEUTICALS CORP. (US) 2021-11-11 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 (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-20210348169-A1 METHODS FOR TREATING AGING AND SKIN DISORDERS USING NUCLEIC ACIDS TARGETING TYR OR MMP1 MMP1, MMP3, MMP11 TSHR 3827/4885ALDH1A1 1541/4885CYP2C19 4841/4885

“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.