SCHEMBL12251109

SCHEMBL12251109

CC(C)(C)CSc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.46
▸ MAP2K2 P36507 1/20 0.42
▸ MAP2K1 Q02750 1/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ CNR2 P34972 2/20 0.42
▸ BACE1 P56817 7/20 0.41
▸ CYP2A6 P11509 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL7243541 0.85 ANPEP (0.44) ANPEPEPHX1CNR2BACE1CYP2A6
SCHEMBL27585107 0.83 ANPEP (0.49) ANPEPMAP2K2MAP2K1EPHX1CNR2
SCHEMBL13923639 0.77 ANPEP (0.47) ANPEPEPHX1CNR2BACE1CYP1A2
SCHEMBL6493935 0.77 CYP2A6 (0.50) ANPEPMAP2K2MAP2K1EPHX1CNR2
SCHEMBL5282055 0.77 CYP2A6 (0.50) ANPEPMAP2K2MAP2K1EPHX1CNR2
SCHEMBL9770073 0.76 BACE1 (0.56) ANPEPMAP2K2MAP2K1CNR2BACE1
SCHEMBL28251159 0.76 ANPEP (0.53) ANPEPMAP2K2MAP2K1CNR2BACE1
SCHEMBL29738643 0.76 BACE1 (0.56) ANPEPMAP2K2MAP2K1CNR2BACE1
SCHEMBL10080198 0.76 ALDH1A1 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL5950810 0.74 ANPEP (0.46) ANPEPEPHX1CNR2BACE1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 — — US disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 — — US disclosed
US-20100143980-A1 SYNTHESIS OF NOVEL XYLOSIDES AND POTENTIAL USES THEREOF BALAGURUNATHAN KUBERAN 2010-06-10 — — US disclosed
US-20100143980-A1 SYNTHESIS OF NOVEL XYLOSIDES AND POTENTIAL USES THEREOF BALAGURUNATHAN KUBERAN 2010-06-10 — — 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-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 ANPEP 2429/4885MAP2K2 4552/4885MAP2K1 4425/4885
US-20100143980-A1 SYNTHESIS OF NOVEL XYLOSIDES AND POTENTIAL USES THEREOF CSGALNACT1, ST3GAL3, FUT6 ANPEP 433/4885MAP2K2 4154/4885MAP2K1 4583/4885

“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.

Send feedback