SCHEMBL2867972

SCHEMBL2867972

CCOc1ccc(Cc2cc(C=O)ccc2OCOC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.44
ALDH1A1 P00352 7/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC5A1 P13866 2/20 0.41
SLC5A2 P31639 2/20 0.41
FDPS P14324 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 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
SCHEMBL2872088 0.93 RAB9A (0.44) TACR2ALDH1A1MAPTLMNAHPGD
SCHEMBL2872095 0.90 ALDH1A1 (0.50) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL2867499 0.90 ALDH1A1 (0.47) TACR2ALDH1A1MAPTLMNAHPGD
SCHEMBL2874062 0.90 SIRT2 (0.43) TACR2ALDH1A1MAPTLMNAHPGD
SCHEMBL2871306 0.90 NPC1 (0.52) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL2871474 0.89 ALDH1A1 (0.48) TACR2ALDH1A1MAPTLMNAHPGD
SCHEMBL2868585 0.89 ALDH1A1 (0.48) TACR2ALDH1A1MAPTLMNAHPGD
SCHEMBL2872106 0.88 ALDH1A1 (0.46) TACR2ALDH1A1MAPTLMNAHPGD
SCHEMBL2868500 0.87 ALDH1A1 (0.47) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL2867573 0.85 TTR (0.51) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691898-B2 Phosphonic acid derivatives and the treating agents of diseases related hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2010-04-06 US disclosed
US-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1813620-A1 PHOSPHONIC ACID DERIVATIVE AND THERAPEUTIC AGENT FOR DISEASE IN WHICH HIGH PHOSPHATE LEVEL IN BLOOD PARTICIPATES Kotobuki Pharmaceutical Co., Ltd. (JP) 2007-08-01 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 (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-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia NR0B1, NR0B2, PTH1R TACR2 720/4885ALDH1A1 3773/4885MAPT 4759/4885

“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.