SCHEMBL21034047

SCHEMBL21034047

CCCCCCC(CCCCCC)C1=NCCO1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
PLA2G1B P04054 1/20 0.31
PLA2G2A P14555 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
NR1I2 O75469 1/20 0.30
DNM1 Q05193 1/20 0.30

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
SCHEMBL21706532 1.00 LMNA (0.31) LMNAADH1BADH1CADH1AADH4
SCHEMBL21706413 0.93 NR1I2 (0.35) NR1I2
SCHEMBL9066338 0.90 LMNA (0.39) LMNA
SCHEMBL11182671 0.90 LMNA (0.39) LMNA
SCHEMBL23771881 0.90 NOS3 (0.33)
SCHEMBL23771969 0.90 NOS3 (0.33)
SCHEMBL24171957 0.88
SCHEMBL27969543 0.86 ADRA2A (0.33) LMNAADH1BADH1CADH1AADH4
SCHEMBL30670310 0.86 ADRA2A (0.31) ADRA2AADRA2BADRA2C
SCHEMBL23466952 0.84 ADH1B (0.33) LMNAADH1BADH1CADH1AADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10781204-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-09-22 US disclosed
US-10300471-B2 Ruthenium-catalyzed synthesis of biaryl compounds in water CHICAGO DISCOVERY SOLUTIONS, LLC 2019-05-28 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-10300471-B2 Ruthenium-catalyzed synthesis of biaryl compounds in water RUVBL2, RUVBL1, CYP2W1 LMNA 3074/4885ADH1B 86/4885ADH1C 134/4885
US-10781204-B2 TYK2 inhibitors and uses thereof TYK2, JAK1, JAK2 LMNA 1689/4885ADH1B 4437/4885ADH1C 4532/4885

“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.