SCHEMBL4923617

SCHEMBL4923617

CCOC(=O)c1ccc2c(c1)C(=O)c1ccc(C)cc1-2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.66
LMNA P02545 3/20 0.55
ALDH1A1 P00352 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 2/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
HTT P42858 1/20 0.50
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49

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
SCHEMBL5846673 0.91 MAPT (0.68) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL9150772 0.87 MAPT (0.68) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL2268884 0.86 MAPT (0.75) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL26120557 0.85 TDP1 (0.53) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL27642918 0.80 TTR (0.66) MAPTALDH1A1SMN1; SMN2CA12CA1
SCHEMBL8954247 0.80 TTR (0.66) MAPTALDH1A1SMN1; SMN2CA12CA1
SCHEMBL2525113 0.79 MAPT (0.55) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL9148081 0.79 MAPT (0.55) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL11625037 0.78 LMNA (0.62) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL8954231 0.78 ELANE (0.55) MAPTALDH1A1NPC1RAB9ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200551-A1 Flourene Derivative ASTELLAS PHARMA INC. (JP) 2008-08-21 US disclosed
US-20080171788-A1 Medicament For Irritable Bowel Syndrome ASTELLAS PHARMA INC. (JP) 2008-07-17 US disclosed
US-20080161419-A1 Prophylactic Antimigraine Agents ASTELLAS PHARMA INC. (JP) 2008-07-03 US disclosed
EP-1852129-A1 REMEDY FOR IRRITABLE BOWEL SYNDROME Astellas Pharma Inc. (JP) 2007-11-07 EP disclosed
EP-1728784-A1 FLUORENE DERIVATIVE Astellas Pharma Inc. (JP) 2006-12-06 EP disclosed
EP-1716867-A1 PREVENTIVES FOR MIGRAINE Astellas Pharma Inc. (JP) 2006-11-02 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 (3 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-20080161419-A1 Prophylactic Antimigraine Agents HTR2B, HTR7, HTR1A MAPT 3582/4885LMNA 1512/4885ALDH1A1 2787/4885
US-20080200551-A1 Flourene Derivative HTR2B, HTR7, HTR2C MAPT 3927/4885LMNA 2620/4885ALDH1A1 3293/4885
US-20080171788-A1 Medicament For Irritable Bowel Syndrome HTR7, HTR5A, HTR3B MAPT 4073/4885LMNA 4613/4885ALDH1A1 2916/4885

“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.