SCHEMBL14948744

SCHEMBL14948744

N#CCc1ccccc1C1CO1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.38
FFAR1 O14842 3/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
CTSB P07858 1/20 0.31
P2RX7 Q99572 1/20 0.30
KIF11 P52732 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL9691788 0.87 ALDH1A1 (0.34) ALDH1A1HPGD
SCHEMBL30601232 0.80 ALDH1A1 (0.39) ALDH1A1HPGDFFAR1CYP1A1CYP1A2
SCHEMBL954765 0.77 ALDH1A1 (0.42) ALDH1A1HPGDFFAR1MEN1KMT2A
SCHEMBL31503923 0.75 TSHR (0.41) ALDH1A1TSHRCTSB
SCHEMBL8358228 0.75 CTSB (0.49) TSHRMEN1MAPTKMT2ACTSB
SCHEMBL28260280 0.75 TSHR (0.41) TSHR
SCHEMBL7049394 0.75 TSHR (0.41) ALDH1A1TSHRCTSB
SCHEMBL31325361 0.73 TSHR (0.40) ALDH1A1TSHRMEN1KMT2ACTSB
SCHEMBL28283505 0.73 CTSB (0.47) TSHRMEN1MAPTKMT2ACTSB
SCHEMBL1023433 0.73 PTGDR2 (0.40) ALDH1A1HPGDMAPTKMT2A

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 10 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-20160297834-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2016-10-13 US disclosed
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2015-07-23 US disclosed
US-8969557-B2 ACC inhibitors and uses thereof Nimbus Apollo, Inc. (US) 2015-03-03 US disclosed
WO-2013071169-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 WO disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 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 (6 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 ALDH1A1 104/4885HPGD 872/4885TSHR 4633/4885
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ALDH1A1 104/4885HPGD 872/4885TSHR 4633/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 ALDH1A1 104/4885HPGD 872/4885TSHR 4633/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ALDH1A1 104/4885HPGD 872/4885TSHR 4633/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ALDH1A1 104/4885HPGD 872/4885TSHR 4633/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ALDH1A1 104/4885HPGD 872/4885TSHR 4633/4885

“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.