SCHEMBL4653785

SCHEMBL4653785

COC(=O)C(C)Oc1cccc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.49
F9 P00740 1/20 0.48
PLAU P00749 1/20 0.48
HTR1A P08908 6/20 0.48
ADRB3 P13945 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
LMNA P02545 2/20 0.48
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
CYP2D6 P10635 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
TP53 P04637 1/20 0.48
GLA P06280 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48

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
SCHEMBL5851174 0.85 KMT2A (0.51) HTR1BHTR1AADRB3CYP1A2CYP3A4
SCHEMBL5851156 0.83 HTR1B (0.44) HTR1BHTR1AADRB3CYP1A2CYP3A4
SCHEMBL8801424 0.79 HTR1B (0.50) HTR1BHTR1AADRB3CYP1A2CYP3A4
SCHEMBL8723087 0.79 HTR1A (0.55) HTR1BHTR1AADRB3CYP1A2CYP3A4
SCHEMBL3794323 0.78 HTR1B (0.55) HTR1BHTR1AADRB3CYP1A2CYP3A4
SCHEMBL29966872 0.77 TUBB4A (0.42) HTR1BHTR1AADRB3CYP1A2CYP3A4
SCHEMBL3374948 0.76 HTR1A (0.46) HTR1BHTR1AADRB3CYP1A2CYP3A4
SCHEMBL3385465 0.76 RHEB (0.45) HTR1BHTR1AADRB3CYP1A2CYP3A4
SCHEMBL502401 0.75 HTR1B (0.52) HTR1BHTR1AADRB3CYP1A2CYP3A4
SCHEMBL7084585 0.75 HTR1B (0.52) HTR1BHTR1AADRB3CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951315-A2 PHOSPHOLIPASE INHIBITORS, INCLUDING MULTI-VALENT PHOSPHOLIPASE INHIBITORS, AND USE THEREOF, INCLUDING AS LUMEN-LOCALIZED PHOSPHOLIPASE INHIBITORS Ilypsa, Inc. (US) 2008-08-06 EP disclosed
WO-2007056279-A2 PHOSPHOLIPASE INHIBITORS, INCLUDING MULTI-VALENT PHOSPHOLIPASE INHIBITORS, AND USE THEREOF, INCLUDING AS LUMEN-LOCALIZED PHOSPHOLIPASE INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO disclosed
US-7098234-B2 Indole derivatives, process for preparation of the same and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-29 US disclosed
CN-1179945-C Indole derivatives, process for preparation of same and use thereof СҰҩƷ��ҵ��ʽ���� 2004-12-15 CN disclosed
US-20040180885-A1 Indole derivatives, process for preparation of the same and use thereof ONO PHARMACEUTICAL CO., LTD. 2004-09-16 US disclosed
US-6743793-B2 DP RECEPTOR ANTAGONIST; PROSTAGLANDIN D ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20030176400-A1 Indole derivatives, process for preparation of the same and use thereof ONO PHARMACEUTICALS CO., LTD. (JP) 2003-09-18 US disclosed
CN-1427824-A Indole derivatives, process for preparation of same and use thereof ONO PHARMACEUTICAL CO (JP) 2003-07-02 CN disclosed
EP-1262475-A1 INDOLE DERIVATIVES, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2002-12-04 EP 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-20030176400-A1 Indole derivatives, process for preparation of the same and use thereof IDO1, KIT, ITCH HTR1B 65/4885F9 4095/4885PLAU 969/4885
US-20040180885-A1 Indole derivatives, process for preparation of the same and use thereof IDO1, KIT, ITCH HTR1B 65/4885F9 4095/4885PLAU 969/4885

“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.