SCHEMBL15814064

SCHEMBL15814064

CCOC(=O)c1cc(OC(C)C)cc(C(=O)O)c1CBr

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.48
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ TSHR P16473 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPT P10636 6/20 0.37
▸ TP53 P04637 3/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA7 P43166 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL5838612 0.85 HPGD (0.46) ALDH1A1CYP4F2CYP4A11TSHRTDP1
SCHEMBL15813929 0.83 ALDH1A1 (0.53) ALDH1A1TSHRMAPK1TDP1MAPT
SCHEMBL15814062 0.80 ALDH1A1 (0.44) ALDH1A1TSHRTDP1MAPTKMT2A
SCHEMBL4072374 0.75 ALDH1A1 (0.57) ALDH1A1TSHRMAPK1TDP1MAPT
SCHEMBL3855078 0.73 CYP2C9 (0.54) ALDH1A1TSHRMAPK1MAPTTP53
SCHEMBL1793961 0.72 ALDH1A1 (0.67) ALDH1A1TDP1KMT2APOLBKDM4E
SCHEMBL148685 0.71 CA12 (0.55) ALDH1A1MAPK1TDP1MAPTTP53
SCHEMBL9429679 0.70 TSHR (0.47) ALDH1A1TSHRMAPK1MAPTKMT2A
SCHEMBL15813825 0.70 ALDH1A1 (0.54) ALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL23501534 0.70 TSHR (0.50) ALDH1A1TSHRMAPK1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339303-B9 ARYL AND HETEROARYL FUSED LACTAMS PFIZER (US) 2021-07-21 — — EP disclosed
EP-3339303-B1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER (US) 2020-06-24 — — EP disclosed
US-10246433-B2 Aryl and heteroaryl fused lactams PFIZER INC. (US) 2019-04-02 — — US disclosed
EP-3339303-A1 ARYL AND HETEROARYL FUSED LACTAMS Pfizer Inc (US) 2018-06-27 — — EP disclosed
EP-2935238-B1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER (US) 2017-12-27 — — EP disclosed
US-20170233368-A1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER INC. (US) 2017-08-17 — — US disclosed
EP-2935238-A1 ARYL AND HETEROARYL FUSED LACTAMS Pfizer Inc. (US) 2015-10-28 — — EP disclosed
US-20150175572-A1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER INC. (US) 2015-06-25 — — US disclosed
US-9040515-B2 Aryl and heteroaryl fused lactams PFIZER INC. (US) 2015-05-26 — — US disclosed
US-20140179667-A1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER INC. (US) 2014-06-26 — — US disclosed
WO-2014097041-A1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER INC. (US) 2014-06-26 — — WO 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 (4 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-20140179667-A1 ARYL AND HETEROARYL FUSED LACTAMS CCNY, MLX, NFXL1 ALDH1A1 2245/4885CYP4F2 436/4885CYP4A11 698/4885
US-20170233368-A1 ARYL AND HETEROARYL FUSED LACTAMS CCNY, MLX, NFXL1 ALDH1A1 2245/4885CYP4F2 436/4885CYP4A11 698/4885
US-20150175572-A1 ARYL AND HETEROARYL FUSED LACTAMS CCNY, MLX, NFXL1 ALDH1A1 2245/4885CYP4F2 436/4885CYP4A11 698/4885
US-10246433-B2 Aryl and heteroaryl fused lactams CCNY, MLX, NFXL1 ALDH1A1 2245/4885CYP4F2 436/4885CYP4A11 698/4885

“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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