SCHEMBL21789841

SCHEMBL21789841

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
ADRA2A P08913 1/20 0.48
HIF1A Q16665 1/20 0.48
AOC3 Q16853 7/20 0.47
ALDH1A1 P00352 2/20 0.46
CHRM2 P08172 1/20 0.45
ADRA1A P35348 1/20 0.45
RGS12 O14924 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
NFKB1 P19838 1/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL17084114 0.85 ADRA2C (0.48) ADRA2CKDM4ELMNAADRA2AHIF1A
SCHEMBL17084088 0.85 ADRA2C (0.48) ADRA2CKDM4ELMNAADRA2AHIF1A
SCHEMBL17084095 0.85 ADRA2C (0.48) ADRA2CKDM4ELMNAADRA2AHIF1A
SCHEMBL15222220 0.85 ADRA2C (0.48) ADRA2CKDM4ELMNAADRA2AHIF1A
SCHEMBL825973 0.84 AOC3 (0.50) ADRA2CKDM4ELMNAADRA2AHIF1A
SCHEMBL17084133 0.83 ADRA2C (0.46) ADRA2CKDM4ELMNAADRA2AHIF1A
SCHEMBL12570043 0.83 KDM4E (0.58) ADRA2CKDM4ELMNAADRA2AHIF1A
SCHEMBL12512543 0.83 KDM4E (0.58) ADRA2CKDM4ELMNAADRA2AHIF1A
SCHEMBL17084140 0.83 ADRA2C (0.46) ADRA2CKDM4ELMNAADRA2AHIF1A
SCHEMBL17084138 0.83 ADRA2C (0.46) ADRA2CKDM4ELMNAADRA2AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-03-09 US disclosed
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-08-10 US disclosed
US-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-03-05 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 (3 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-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders CFD, TFPI, CFH ADRA2C 281/4885KDM4E 3412/4885LMNA 2273/4885
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH ADRA2C 1516/4885KDM4E 3949/4885LMNA 1931/4885
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH ADRA2C 580/4885KDM4E 3553/4885LMNA 2135/4885

“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.