SCHEMBL22144403

SCHEMBL22144403

N#C[C@H](O)c1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 2/20 0.39
ALOX15 P16050 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
NPC1 O15118 1/20 0.39
CA12 O43570 1/20 0.39
GMNN O75496 1/20 0.39
EGFR P00533 1/20 0.39
LMNA P02545 1/20 0.39
FYN P06241 1/20 0.39
CA3 P07451 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL639888 1.00 TSHR (0.52) TSHRGABRA1GABRB2KDM4EMAPT
SCHEMBL13937393 0.85 TSHR (0.61) TSHRGABRA1GABRB2KDM4EMAPT
SCHEMBL27695468 0.79 TSHR (0.46) TSHRGABRA1GABRB2KDM4EMAPT
SCHEMBL4429090 0.77 GABRA1 (0.48) TSHRGABRA1GABRB2KDM4EMAPT
SCHEMBL17038537 0.77 GABRA1 (0.48) TSHRGABRA1GABRB2KDM4EMAPT
SCHEMBL17787353 0.76 TSHR (0.50) TSHRTRPA1
SCHEMBL6687100 0.76 TSHR (0.50) TSHRALDH1A1L3MBTL1ALOX15CYP3A4
SCHEMBL1628799 0.76 TSHR (0.50) TSHRKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL3497477 0.76 TSHR (0.50) TSHRALDH1A1L3MBTL1ALOX15CYP3A4
SCHEMBL7351692 0.76 TSHR (0.50) TSHRKDM4EALDH1A1L3MBTL1CA2

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-20210024537-A1 PROCESSES FOR PREPARING ACC INHIBITORS AND SOLID FORMS THEREOF GILEAD SCIENCES, INC. 2021-01-28 US disclosed
US-10745412-B2 Processes for preparing ACC inhibitors and solid forms thereof GILEAD SCIENCES, INC. (US) 2020-08-18 US disclosed
US-20200199147-A1 PROCESSES FOR PREPARING ACC INHIBITORS AND SOLID FORMS THEREOF GILEAD SCIENCES, INC. 2020-06-25 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-20210024537-A1 PROCESSES FOR PREPARING ACC INHIBITORS AND SOLID FORMS THEREOF ACACA, ACACB, ACAT2 TSHR 4377/4885GABRA1 3780/4885GABRB2 3939/4885
US-10745412-B2 Processes for preparing ACC inhibitors and solid forms thereof ACACA, ACACB, ACAT2 TSHR 4377/4885GABRA1 3780/4885GABRB2 3939/4885
US-20200199147-A1 PROCESSES FOR PREPARING ACC INHIBITORS AND SOLID FORMS THEREOF ACACA, ACACB, ACAT2 TSHR 4377/4885GABRA1 3780/4885GABRB2 3939/4885

“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.