SCHEMBL14558201

SCHEMBL14558201

CC(C)N(C)CC(C)(C)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.46
▸ SRD5A2 P31213 2/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ EGFR P00533 1/20 0.41
▸ RXRA P19793 2/20 0.40
▸ RXRB P28702 2/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ RARB P10826 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.39
▸ TAS2R14 Q9NYV8 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PLA2G4B P0C869 1/20 0.38
▸ LPAR1 Q92633 1/20 0.37
▸ LPAR5 Q9H1C0 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
SCHEMBL14473046 0.77 CA1 (0.53) KMT2ASRD5A2MAPK1TSHRALDH1A1
SCHEMBL982170 0.76 CA1 (0.52) KMT2ATSHRALDH1A1HSD17B10CA1
SCHEMBL29385898 0.75 CA1 (0.59) KMT2ASRD5A2MAPK1TSHRALDH1A1
SCHEMBL5495923 0.74 CA1 (0.50) KMT2AMAPK1TSHRALDH1A1HSD17B10
SCHEMBL19135726 0.73 KMT2A (0.46) KMT2ASRD5A2MAPK1TSHRALDH1A1
SCHEMBL11693473 0.73 RXRA (0.53) MAPK1TSHRHSD17B10CA1CA2
SCHEMBL14558180 0.73 MAPK1 (0.62) KMT2ASRD5A2MAPK1TSHRALDH1A1
SCHEMBL322440 0.71 CA1 (0.59) KMT2ASRD5A2MAPK1TSHRALDH1A1
SCHEMBL18569336 0.71 TSHR (0.46) KMT2AMAPK1TSHRALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL9329303 0.71 MAPK1 (0.59) SRD5A2MAPK1TSHRALDH1A1RARB

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
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — 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 (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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 KMT2A 735/4885SRD5A2 2580/4885MAPK1 1430/4885

“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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