SCHEMBL3159246

SCHEMBL3159246

CC1(C)OC(=O)c2cccc(O)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.42
MAOA P21397 2/20 0.42
MAPT P10636 8/20 0.41
TDP1 Q9NUW8 6/20 0.41
ALDH1A1 P00352 5/20 0.41
ALOX15 P16050 4/20 0.41
HSD17B10 Q99714 4/20 0.41
MAPK1 P28482 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 3/20 0.41
MAOB P27338 1/20 0.41
HTT P42858 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40

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
SCHEMBL19891984 0.79 CA1 (0.53) IDO1MAOAMAPTTDP1ALDH1A1
SCHEMBL9197492 0.78 DAO (0.41) IDO1MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL22851407 0.76 GRK6 (0.41) MAOAMAPTTDP1ALDH1A1LMNA
SCHEMBL22851428 0.76 CXCR1 (0.37) IDO1TDP1LMNAHTTKMT2A
SCHEMBL5270134 0.76 MAOA (0.38) IDO1MAOAMAPTTDP1ALDH1A1
SCHEMBL3163061 0.74 TXNRD1 (0.41) IDO1MAOAMAPTTDP1ALDH1A1
SCHEMBL13439908 0.73 LMNA (0.38) IDO1MAPTALOX15HPGDLMNA
SCHEMBL22903759 0.73 CA2 (0.38) IDO1TDP1ALDH1A1LMNATSHR
SCHEMBL5080247 0.73 CA1 (0.42) IDO1MAOAMAPTTDP1ALDH1A1
SCHEMBL2761699 0.73 IDO1 (0.40) IDO1MAOAMAPTTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112601668-B Thermosensitive recording material and color-developing agent 索理思科技开曼公司 2022-07-29 CN disclosed
CN-112601668-A Thermosensitive recording material and color-developing agent 索理思科技开曼公司 2021-04-02 CN disclosed
EP-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US disclosed
US-4571605-A LEUCO DYE, COLOR DEVELOPER AND HALOGENATED AROMATIC ALCHOLO ON SUPPORT RICOH COMPANY, LTD (JP) 1986-02-18 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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 IDO1 1597/4885MAOA 2485/4885MAPT 3475/4885
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY2 IDO1 1597/4885MAOA 2485/4885MAPT 3475/4885

“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.