SCHEMBL13293107

SCHEMBL13293107

CC(C)CC(O)(C(C)C)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP2C19 P33261 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL24241378 0.76 ALDH1A1 (0.33) ALDH1A1CYP2C19
SCHEMBL26014206 0.76 ALDH1A1 (0.33) ALDH1A1CYP2C19
SCHEMBL15119906 0.76 ALDH1A1 (0.33) ALDH1A1CYP2C19
SCHEMBL11995519 0.76 ALDH1A1 (0.33) ALDH1A1CYP2C19
SCHEMBL11989214 0.74 ALDH1A1 (0.32) ALDH1A1CYP2C19
SCHEMBL10170766 0.72 AR (0.33) AR
SCHEMBL14113527 0.72 AR (0.33) AR
Hydrochloric Acid SCHEMBL2382593 0.72 ALDH1A1 (0.30) ALDH1A1CYP2C19
SCHEMBL24746653 0.70 AR (0.33) AR
SCHEMBL9907229 0.70 AR (0.33) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9433626-B2 Pyrido[4,3-B]indole and pyrido[3,4-B]indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-9434747-B2 Methods of treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-9211287-B2 Pyrido[4,3-b]indole and pyrido[3,4-b]indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-12-15 US disclosed
US-20150335654-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-11-26 US disclosed
US-20150258075-A1 PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-09-17 US disclosed
US-20140228353-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2014-08-14 US disclosed
US-8569287-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2013-10-29 US disclosed
US-8546381-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2013-10-01 US disclosed
US-8338447-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 US disclosed
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-06-17 US disclosed
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-04-22 US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 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-20150258075-A1 PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]INDOLE DERIVATIVES AND METHODS OF USE HTR1B, HTR2B, HTR2A ALDH1A1 2399/4885CYP2C19 892/4885AR 2328/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C ALDH1A1 1514/4885CYP2C19 363/4885AR 4550/4885
US-20140228353-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2B, ADRA2C ALDH1A1 1402/4885CYP2C19 638/4885AR 298/4885
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 ALDH1A1 1048/4885CYP2C19 256/4885AR 1144/4885
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C ALDH1A1 1335/4885CYP2C19 466/4885AR 4209/4885
US-20150335654-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR3B, HTR4, HTR2C ALDH1A1 1508/4885CYP2C19 356/4885AR 4218/4885

“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.