SCHEMBL13532011

SCHEMBL13532011

CC(C)(C)c1ccc2c(c1)NCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
CYP19A1 P11511 1/20 0.36
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.34
ABCB1 P08183 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 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
SCHEMBL15908265 0.85 TRPV1 (0.40) ALDH1A1HSD17B10GAAMAPTTRPV1
SCHEMBL8258292 0.82 ALDH1A1 (0.62) ALDH1A1HSD17B10GAAMAPTTRPV1
SCHEMBL8470066 0.81 ACE2 (0.42) ALDH1A1HSD17B10GAAMAPTHPGD
SCHEMBL22169027 0.76 CYP19A1 (0.48) ALDH1A1HSD17B10MAPTCYP19A1HPGD
SCHEMBL8348569 0.75 HSD17B10 (0.67) ALDH1A1HSD17B10GAAMAPTHPGD
SCHEMBL22792664 0.73 ALDH1A1 (0.31) ALDH1A1HSD17B10GAAMAPT
SCHEMBL16418606 0.73 ALDH1A1 (0.43) ALDH1A1MAPTTRPV1CYP19A1HPGD
SCHEMBL25926813 0.73 CYP19A1 (0.42) ALDH1A1MAPTCYP19A1HPGDPOLB
SCHEMBL15043756 0.73 ALDH1A1 (0.32) ALDH1A1HSD17B10GAATRPV1CYP19A1
SCHEMBL21004970 0.73 KDM4E (0.36) ALDH1A1HSD17B10TRPV1CYP19A1HPGD

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-11168070-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2021-11-09 US disclosed
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-12-24 US disclosed
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2010-01-14 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 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 (4 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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 ALDH1A1 1812/4885HSD17B10 90/4885GAA 3821/4885
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES PIGS, GPR174, GPR17 ALDH1A1 1098/4885HSD17B10 2485/4885GAA 1234/4885
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC3 ALDH1A1 2185/4885HSD17B10 1481/4885GAA 3825/4885
US-11168070-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 ALDH1A1 2009/4885HSD17B10 1496/4885GAA 3780/4885

“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.