SCHEMBL17039271

SCHEMBL17039271

CC#CCn1c(=O)oc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.62
TSHR P16473 2/20 0.62
HPGD P15428 2/20 0.62
USP2 O75604 1/20 0.62
ALDH1A1 P00352 4/20 0.57
NPSR1 Q6W5P4 2/20 0.57
MIF P14174 1/20 0.55
LMNA P02545 2/20 0.54
IDO1 P14902 1/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL9364339 0.84 MAPK1 (0.62) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL536696 0.84 MAPK1 (0.62) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL17036528 0.83 MAPK1 (0.57) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL4151771 0.81 MAPK1 (0.68) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL31236317 0.80 MAPK1 (0.66) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL3027838 0.80 MAPK1 (0.66) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL904819 0.78 MAPK1 (0.72) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL23339264 0.76 SLC6A2 (0.48) HPGDALDH1A1POLBSMN1; SMN2
SCHEMBL9210565 0.75 ALDH1A1 (0.72) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL5542532 0.74 HPGD (0.65) MAPK1TSHRHPGDUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828396-B2 Alkyne compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-11-28 US disclosed
US-20150239868-A1 Alkyne Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 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 (1 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-20150239868-A1 Alkyne Compounds for Treatment of Complement Mediated Disorders CFD, C9, TFPI MAPK1 1077/4885TSHR 1336/4885HPGD 2818/4885

“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.