SCHEMBL21570596

SCHEMBL21570596

COc1ccccc1C(CO)OC1C[C@H]2CC(OCc3ccccc3)C[C@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.39
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ACHE P22303 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ACACA Q13085 4/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ACACB O00763 2/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL18908182 0.85 HTR2A (0.38) NAAACYP2C19ALDH1A1SIGMAR1ACACB
SCHEMBL18820764 0.85 HTR2A (0.38) NAAACYP2C19ALDH1A1SIGMAR1ACACB
SCHEMBL18908176 0.85 HTR2A (0.38) NAAACYP2C19ALDH1A1SIGMAR1ACACB
SCHEMBL18908200 0.85 HTR2A (0.38) NAAACYP2C19ALDH1A1SIGMAR1ACACB
SCHEMBL21570671 0.85 AGTR1 (0.37) ACACAACACBPOLBHTTNPSR1
SCHEMBL21570698 0.84 ACACA (0.42) ACACAACACBPOLBHTTNPSR1
SCHEMBL24404214 0.81 ACACA (0.42) ACACAACACBPOLBHTTNPSR1
SCHEMBL22869926 0.81 ACACA (0.42) ACACAACACBPOLBHTTNPSR1
SCHEMBL24404173 0.81 ACACA (0.42) ACACAACACBPOLBHTTNPSR1
SCHEMBL22869916 0.81 ACACA (0.42) ACACAACACBPOLBHTTNPSR1

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
EP-3571205-B1 THIENOPYRIMIDINE DERIVATIVE AND USE THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO LTD (CN) 2023-08-30 EP disclosed
US-10759812-B2 Thienopyrimidine derivative and use thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-09-01 US disclosed
US-20190352311-A1 THIENOPYRIMIDINE DERIVATIVE AND USE THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-11-21 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 (2 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-20190352311-A1 THIENOPYRIMIDINE DERIVATIVE AND USE THEREOF IN MEDICINE ACACA, ACACB, PC NAAA 876/4885CA1 4178/4885CA2 3776/4885
US-10759812-B2 Thienopyrimidine derivative and use thereof in medicine ACACA, ACACB, PC NAAA 876/4885CA1 4178/4885CA2 3776/4885

“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.