SCHEMBL532665

SCHEMBL532665

CCCC(=O)N1c2ccc(C(=O)O)cc2[C@H](O)C[C@@H]1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.42
BRD4 O60885 5/20 0.40
BRD2 P25440 3/20 0.40
BRD3 Q15059 3/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
TRIM24 O15164 1/20 0.38
TAF1 P21675 1/20 0.38

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
SCHEMBL15890971 0.83 BRD4 (0.54) CYP3A4CYP2C9CYP2C19KMT2ABRD4
SCHEMBL15890930 0.83 BRD4 (0.54) CYP3A4CYP2C9CYP2C19KMT2ABRD4
SCHEMBL222992 0.80 LMNA (0.59) MAPTCYP3A4CYP2C9CYP2C19TSHR
SCHEMBL533160 0.79 NPSR1 (0.46) MAPTCYP3A4CYP2C9CYP2C19TSHR
SCHEMBL222904 0.79 NPSR1 (0.46) MAPTCYP3A4CYP2C9CYP2C19TSHR
SCHEMBL222151 0.76 BRD4 (0.51) CYP3A4CYP2C9CYP2C19BRD4BRD2
SCHEMBL224314 0.76 KMT2A (0.43) MAPTCYP3A4CYP2C9CYP2C19TSHR
SCHEMBL221902 0.76 RAB9A (0.44) MAPTCYP3A4CYP2C9CYP2C19TSHR
SCHEMBL224529 0.74 BRD4 (0.49) CYP3A4CYP2C9CYP2C19BRD4BRD2
SCHEMBL224343 0.72 BRD4 (0.46) KMT2ASMN1; SMN2BRD4BRD2BRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140249144-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT KOWA COMPANY, LTD. (JP) 2014-09-04 US disclosed
EP-2415764-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT Kowa Company, Ltd. (JP) 2012-02-08 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-20140249144-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT EPOR, HBG1, HBG2 MAPT 4876/4885CYP3A4 2810/4885CYP2C9 3116/4885

“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.