SCHEMBL19630795

SCHEMBL19630795

CC[C@@H](CO)NCCN[C@@H](CC)CCO

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.77
CNR1 P21554 1/20 0.77
ADRA1A P35348 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
KDM4E B2RXH2 1/20 0.77
ABCC3 O15438 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
ALDH1A1 P00352 2/20 0.36
ALOX12 P18054 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
SCHEMBL20696605 0.93 LMNA (0.64) LMNACNR1ADRA1ATDP1KDM4E
Ethambutol SCHEMBL3399 0.88 LMNA (1.00) LMNACNR1ADRA1ATDP1KDM4E
Ethambutol SCHEMBL4029 0.88 LMNA (1.00) LMNACNR1ADRA1ATDP1KDM4E
Ethambutol SCHEMBL2961583 0.88 LMNA (1.00) LMNACNR1ADRA1ATDP1KDM4E
Ethambutol SCHEMBL2636850 0.88 LMNA (1.00) LMNACNR1ADRA1ATDP1KDM4E
Ethambutol SCHEMBL9906602 0.88 LMNA (1.00) LMNACNR1ADRA1ATDP1KDM4E
Ethambutol SCHEMBL15479016 0.88 LMNA (1.00) LMNACNR1ADRA1ATDP1KDM4E
Ethambutol SCHEMBL3026481 0.85 ABCC3 (1.00) LMNACNR1ADRA1ATDP1KDM4E
Ethambutol SCHEMBL3398 0.85 ABCC3 (1.00) LMNACNR1ADRA1ATDP1KDM4E
Ethambutol SCHEMBL650049 0.85 ABCC3 (1.00) LMNACNR1ADRA1ATDP1KDM4E

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-20170333427-A1 MULTI-DRUG THERAPIES FOR TUBERCULOSIS TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-23 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 (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-20170333427-A1 MULTI-DRUG THERAPIES FOR TUBERCULOSIS TREATMENT FNTB, DHFR, HMGCR LMNA 3701/4885CNR1 2808/4885ADRA1A 850/4885

“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.