SCHEMBL20052999

SCHEMBL20052999

c1ccc(COCc2ccccc2C2CO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TAAR1 Q96RJ0 1/20 0.40
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A2 P23975 2/20 0.35

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
SCHEMBL11078799 0.83 MEN1 (0.48) TSHRTAAR1L3MBTL1LMNATDP1
SCHEMBL14945593 0.79 ADRA1A (0.48) TSHRALDH1A1MEN1KMT2AHTR2C
SCHEMBL11825232 0.77 TSHR (0.42) TSHRTAAR1ALDH1A1MEN1KMT2A
SCHEMBL14948695 0.76 SMN1; SMN2 (0.41) TSHRL3MBTL1ALDH1A1POLBSMN1; SMN2
SCHEMBL9811943 0.75 HTR2C (0.57) L3MBTL1MAPTMAPK1TDP1HTR2C
Propylene Oxide SCHEMBL335355 0.74 TSHR (0.62) TSHRTAAR1L3MBTL1LMNANPC1
Propylene Oxide SCHEMBL335357 0.74 TSHR (0.62) TSHRTAAR1L3MBTL1LMNANPC1
SCHEMBL14945603 0.73 ADRA1A (0.38) TSHRALDH1A1TDP1HTR2CSLC6A2
SCHEMBL28649448 0.71 ALDH1A1 (0.46) KDM4EL3MBTL1ALDH1A1POLBMAPT
SCHEMBL8358228 0.71 CTSB (0.49) TSHRKDM4ELMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200102323-A1 ACC INHIBITORS AND USES THEREOF SCHRÖDINGER, INC. 2020-04-02 US disclosed
US-10472374-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2019-11-12 US disclosed
EP-3329919-B1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2019-11-06 EP disclosed
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2019-01-17 US disclosed
EP-3329919-A1 ACC INHIBITORS AND USES THEREOF Gilead Apollo, LLC (US) 2018-06-06 EP disclosed
US-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 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-20200102323-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 TSHR 4633/4885TAAR1 4250/4885KDM4E 2187/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 TSHR 4633/4885TAAR1 4250/4885KDM4E 2187/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 TSHR 4633/4885TAAR1 4250/4885KDM4E 2187/4885

“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.