SCHEMBL17367389

SCHEMBL17367389

CC(C)O[C@H](C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
TAAR1 Q96RJ0 3/20 0.41
ADRA2A P08913 2/20 0.40
ADRA2C P18825 2/20 0.40
ADRA2B P18089 1/20 0.40
CYP2D6 P10635 1/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.38
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
TSHR P16473 1/20 0.38
FFAR1 O14842 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
SCHEMBL13554105 1.00 HCAR2 (0.42) HCAR2TAAR1ADRA2AADRA2CADRA2B
SCHEMBL104838 1.00 HCAR2 (0.42) HCAR2TAAR1ADRA2AADRA2CADRA2B
SCHEMBL198133 0.89 HCAR2 (0.45) HCAR2TAAR1ADRA2AADRA2CADRA2B
Phosphine SCHEMBL20897413 0.86 CYP2D6 (0.46) HCAR2TAAR1ADRA2AADRA2CADRA2B
SCHEMBL12559730 0.86 ESR1 (0.33)
SCHEMBL3163758 0.84 HCAR2 (0.42) HCAR2TAAR1ADRA2AADRA2CADRA2B
Hydrochloric Acid SCHEMBL28482713 0.83 ALDH1A1 (0.48) HCAR2TAAR1ADRA2AADRA2CLMNA
SCHEMBL6272307 0.82 HCAR2 (0.46) HCAR2TAAR1ADRA2AADRA2CADRA2B
SCHEMBL8750423 0.82 PTGS2 (0.43) HCAR2TAAR1ADRA2AADRA2CADRA2B
SCHEMBL22875947 0.80 TAAR1 (0.40) HCAR2TAAR1ADRA2AADRA2CADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308614-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-06-04 US disclosed
US-10000463-B2 Halogen-substituted heterocyclic compound UBE INDUSTRIES, LTD. (JP) 2018-06-19 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES, LTD. (JP) 2015-12-31 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-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND LPAR3, LPAR1, LPAR2 HCAR2 170/4885TAAR1 49/4885ADRA2A 171/4885
US-10000463-B2 Halogen-substituted heterocyclic compound LPAR1, LPAR4, LPAR2 HCAR2 127/4885TAAR1 121/4885ADRA2A 92/4885
US-10308614-B2 Therapeutic compounds and uses thereof SMARCC1, SMARCC2, SMARCA4 HCAR2 3656/4885TAAR1 2237/4885ADRA2A 1814/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 HCAR2 3656/4885TAAR1 2237/4885ADRA2A 1814/4885

“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.