SCHEMBL4320799

SCHEMBL4320799

O=C(O)C1=C(c2ccc(F)cc2)[C@@H](O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.43
BAD Q92934 1/20 0.43
APAF1 O14727 1/20 0.39
POLB P06746 1/20 0.39
GRK2 P25098 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
DHODH Q02127 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.36
PTGS2 P35354 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HSD11B1 P28845 2/20 0.34

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
SCHEMBL6810992 0.75 DHODH (0.43) DHODHSLC6A4SLC6A3KMT2A
SCHEMBL7480062 0.67 PTGS2 (0.60) PTGS2
SCHEMBL6499224 0.67 SLC6A3 (0.51) BCL2L1BADSLC6A4SLC6A3KMT2A
SCHEMBL17841452 0.63 KCNH2 (0.40) HDAC3HDAC1HDAC2PTGS2NPC1
Bicarbonate SCHEMBL28812694 0.62 BCL2L1 (0.68) BCL2L1BADAPAF1POLBGRK2
SCHEMBL202110 0.61 BCL2L1 (1.00) BCL2L1BADCA12
SCHEMBL1745534 0.61 CYP17A1 (0.55) HDAC3HDAC1HDAC2
SCHEMBL2522507 0.60 NOTUM (0.43) BCL2L1BADAPAF1POLBGRK2
SCHEMBL1066181 0.59 MAPK14 (0.43) BCL2L1BADPTGS2NPC1RAB9A
Bicarbonate SCHEMBL28812688 0.59 BCL2L1 (0.62) BCL2L1BADPOLBDHODHKMT2A

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-20090270406-A1 Combination Therapy for the Treatment of Urinary Frequency, Urinary Urgency and Urinary Incontinence MERCK SHARP & DOHME CORP. 2009-10-29 US disclosed
US-7196113-B2 Lactam tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-03-27 US disclosed
US-20050282886-A1 Lactam tachykinin receptor antagonists MERCK SHARP & DOHME CORP. 2005-12-22 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-20090270406-A1 Combination Therapy for the Treatment of Urinary Frequency, Urinary Urgency and Urinary Incontinence MME, UTS2R, BPHL BCL2L1 4481/4885BAD 4075/4885APAF1 4426/4885
US-20050282886-A1 Lactam tachykinin receptor antagonists TACR1, TACR2, NPSR1 BCL2L1 3604/4885BAD 3872/4885APAF1 3325/4885

“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.