SCHEMBL9972846

SCHEMBL9972846

CC(C)(C)CCOc1ccc(CC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACACB O00763 1/20 0.39
HRH3 Q9Y5N1 4/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
APP P05067 2/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 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
SCHEMBL14524692 0.87 SMN1; SMN2 (0.47) ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL13652493 0.84 LMNA (0.55) ESR1ALDH1A1LMNASMN1; SMN2ACACB
SCHEMBL1908631 0.84 LTA4H (0.50) ESR1ALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL14163821 0.84 LMNA (0.51) ALDH1A1LMNASMN1; SMN2HRH3
SCHEMBL18965483 0.83 KCNH2 (0.43) ESR1
SCHEMBL12775672 0.82 CYP3A4 (0.59) ESR1ALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL506565 0.82 KEAP1 (0.58) SMN1; SMN2KEAP1NFE2L2
SCHEMBL2565153 0.82 TDP1 (0.55) ALDH1A1CYP3A4SMN1; SMN2NFE2L2APP
SCHEMBL20169587 0.81 LMNA (0.53) ESR1ALDH1A1LMNASMN1; SMN2HRH3
SCHEMBL17703302 0.81 ITGB3 (0.45) ESR1SMN1; SMN2HRH3KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US disclosed
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US disclosed
US-11578087-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-02-14 US disclosed
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. 2021-04-08 US disclosed
US-10882872-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
US-10562921-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 US disclosed
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 US disclosed
US-RE43480-E1 Coated optical fiber and curable compositions suitable for coating optical fiber CORNING INCORPORATED (US) 2012-06-19 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 (6 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-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 ESR1 1504/4885ALDH1A1 585/4885LMNA 2067/4885
US-10882872-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 ESR1 1504/4885ALDH1A1 585/4885LMNA 2067/4885
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 ESR1 1504/4885ALDH1A1 585/4885LMNA 2067/4885
US-11578087-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 ESR1 1504/4885ALDH1A1 585/4885LMNA 2067/4885
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 ESR1 1504/4885ALDH1A1 585/4885LMNA 2067/4885
US-10562921-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 ESR1 1504/4885ALDH1A1 585/4885LMNA 2067/4885

“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.