SCHEMBL6685103

SCHEMBL6685103

CC(C)(C)Cc1ccc(CC(C)(C)C)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.74
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46
CHRNA4 P43681 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ESR2 Q92731 4/20 0.44
TAAR1 Q96RJ0 1/20 0.43
LMNA P02545 2/20 0.40
CYP2D6 P10635 1/20 0.40
BLM P54132 1/20 0.38
HSD11B1 P28845 1/20 0.37
TRPA1 O75762 1/20 0.34
RIPK1 Q13546 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL21100336 0.91 ESR1 (0.64) ESR1THRATHRBSLC6A2SLC6A4
SCHEMBL394340 0.88 ESR1 (0.61) ESR1THRATHRBSLC6A2SLC6A4
SCHEMBL861221 0.88 ESR1 (0.61) ESR1THRATHRBSLC6A2SLC6A4
SCHEMBL15706822 0.88 ESR1 (0.61) ESR1THRATHRBSLC6A2SLC6A4
SCHEMBL19848644 0.86 ESR1 (0.58) ESR1THRATHRBSLC6A2SLC6A4
SCHEMBL19454941 0.86 ESR1 (0.58) ESR1THRATHRBESR2LMNA
SCHEMBL12571340 0.86 ESR1 (0.58) ESR1THRATHRBSLC6A2SLC6A4
SCHEMBL73405 0.86 ESR1 (1.00) ESR1THRATHRBSLC6A2SLC6A4
SCHEMBL5365005 0.86 ESR1 (0.58) ESR1THRATHRBSLC6A2SLC6A4
SCHEMBL11974050 0.86 ESR1 (0.58) ESR1THRATHRBSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210388016-A1 GLUCOPYRANOSE DERIVATIVES USEFUL AS SGLT2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-12-16 US disclosed
US-20210388015-A1 GLUCOPYRANOSE DERIVATIVES USEFUL AS SGLT2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-12-16 US disclosed
US-9733235-B2 Methods and design of membrane filters CALIFORNIA INSTUTE OF TECHNOLOGY (US) 2017-08-15 US disclosed
US-20170105836-A1 NASAL IMPLANTS AND SYSTEMS AND METHOD OF USE STRYKER CORPORATION 2017-04-20 US disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP 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-20210388016-A1 GLUCOPYRANOSE DERIVATIVES USEFUL AS SGLT2 INHIBITORS SLC5A2, SLC5A1, UGGT1 ESR1 3071/4885THRA 4152/4885THRB 3961/4885
US-20210388015-A1 GLUCOPYRANOSE DERIVATIVES USEFUL AS SGLT2 INHIBITORS SLC5A2, SLC5A1, UGGT1 ESR1 3071/4885THRA 4152/4885THRB 3961/4885

“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.