SCHEMBL1010837

SCHEMBL1010837

O=C(OCc1ccccc1)C1C(=O)C(C(=O)OCc2ccccc2)C2CCC1N2Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.47
ALDH1A1 P00352 1/20 0.45
F2 P00734 2/20 0.45
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ELANE P08246 1/20 0.44
TSHR P16473 1/20 0.43
SLC6A3 Q01959 1/20 0.43
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43

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
SCHEMBL1011753 0.88 ALDH1A1 (0.50) ALDH1A1
SCHEMBL1010265 0.86 FKBP1A (0.46) FKBP1AF2HPGDTDP1ELANE
SCHEMBL1011983 0.84 SLC6A4 (0.54) FKBP1AALDH1A1HPGDSMN1; SMN2SLC6A3
SCHEMBL1010262 0.83 L3MBTL1 (0.43) ALDH1A1HPGDTDP1TSHRSLC6A3
SCHEMBL7652967 0.82 CYP2C19 (0.46) ALDH1A1TSHRSLC6A3
SCHEMBL1010278 0.81 SLC6A4 (0.43) ALDH1A1TSHRSLC6A3
SCHEMBL9356307 0.77 ALDH1A1 (0.54) FKBP1AALDH1A1TDP1NPC1RAB9A
SCHEMBL9352186 0.77 ALDH1A1 (0.54) FKBP1AALDH1A1TDP1NPC1RAB9A
SCHEMBL1012557 0.76 HTR2C (0.51) HPGDNPC1RAB9ASMN1; SMN2ELANE
SCHEMBL21869792 0.75 FKBP1A (0.50) FKBP1AALDH1A1TDP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1118674-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE TROPINONE MONOCARBOXYLIC ACID DERIVATIVE NIHON MEDIPHYSICS CO LTD (JP) 2011-01-05 EP disclosed
US-20030065183-A1 Process for producing optically active tropinonemonocarboxylic acid ester derivative NIHON MEDI-PHYSICS CO., LTD. 2003-04-03 US disclosed
US-6486323-B1 Process for producing optically active tropinonemonocarboxylic acid derivative NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-11-26 US disclosed
EP-1118674-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE TROPINONE MONOCARBOXYLIC ACID DERIVATIVE Nihon Medi-Physics Co., Ltd. (JP) 2001-07-25 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-20030065183-A1 Process for producing optically active tropinonemonocarboxylic acid ester derivative CES2, FTO, HAAO FKBP1A 2654/4885ALDH1A1 57/4885F2 4330/4885

“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.