SCHEMBL2254817

SCHEMBL2254817

COc1ccc2c(CCC=Cc3cc(-c4ccc(F)cc4)ccc3C(=O)O)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 1/20 0.47
▸ BAD Q92934 1/20 0.47
▸ MTNR1A P48039 9/20 0.46
▸ MTNR1B P49286 5/20 0.46
▸ DHODH Q02127 1/20 0.43
▸ NQO2 P16083 1/20 0.41
▸ FDPS P14324 1/20 0.38
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ PLG P00747 1/20 0.37
▸ PLAU P00749 1/20 0.37

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
SCHEMBL2254810 1.00 BCL2L1 (0.47) BCL2L1BADMTNR1AMTNR1BDHODH
SCHEMBL2253758 0.94 MTNR1A (0.48) BCL2L1BADMTNR1AMTNR1BNQO2
SCHEMBL2253763 0.94 MTNR1A (0.48) BCL2L1BADMTNR1AMTNR1BNQO2
SCHEMBL2253096 0.88 BCL2L1 (0.49) BCL2L1BADDHODHFDPS
SCHEMBL2253099 0.88 BCL2L1 (0.49) BCL2L1BADDHODHFDPS
SCHEMBL2254705 0.82 BCL2L1 (0.49) BCL2L1BADMTNR1AMTNR1BDHODH
SCHEMBL2254708 0.82 BCL2L1 (0.49) BCL2L1BADMTNR1AMTNR1BDHODH
SCHEMBL2253025 0.79 BCL2L1 (0.56) BCL2L1BADMTNR1AMTNR1BDHODH
SCHEMBL2253023 0.79 BCL2L1 (0.56) BCL2L1BADMTNR1AMTNR1BDHODH
SCHEMBL2255846 0.76 MTNR1A (0.56) MTNR1AMTNR1BNQO2HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904047-B1 APOPTOSIS PROMOTERS ABBOTT LAB (US) 2013-01-02 — — EP disclosed
US-7989656-B2 Biaryl carboxylic acid apoptosis promoters ABBOTT LABORATORIES (US) 2011-08-02 — — US disclosed
US-20100234456-A1 APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2010-09-16 — — US disclosed
US-7750004-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-06 — — US disclosed
US-20070135392-A1 Apoptosis promoters ABBVIE INC. 2007-06-14 — — 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-20100234456-A1 APOPTOSIS PROMOTERS MCL1, BAX, BCL2 BCL2L1 5/4885BAD 11/4885MTNR1A 1544/4885
US-20070135392-A1 Apoptosis promoters MCL1, BAX, BCL2 BCL2L1 5/4885BAD 11/4885MTNR1A 1544/4885

“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.

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