Sugi Predict

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SCHEMBL4864827

SCHEMBL4864827

COc1cccc2c1OC[C@@H]1[C@H]2Nc2ccc(F)cc2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD11B1 P28845 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ PGR P06401 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TERT O14746 1/20 0.31

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
SCHEMBL4555664 0.92 PGR (0.38) ALDH1A1HSD11B1KDM4EPGRHTR2C
SCHEMBL14625428 0.92 PGR (0.38) ALDH1A1HSD11B1KDM4EPGRHTR2C
SCHEMBL4556424 0.88 ALDH1A1 (0.35) ALDH1A1KDM4ESMN1; SMN2LMNACYP3A4
SCHEMBL4555957 0.88 KMT2A (0.35) ALDH1A1KDM4ELMNAHTR2BTP53
SCHEMBL4564321 0.88 KMT2A (0.35) ALDH1A1KDM4ELMNAHTR2BTP53
SCHEMBL4555136 0.88 KMT2A (0.35) ALDH1A1KDM4ELMNAHTR2BTP53
SCHEMBL4555974 0.87 ALDH1A1 (0.38) ALDH1A1KDM4ECREBBPLMNAGAA
SCHEMBL4611705 0.87 ALDH1A1 (0.38) ALDH1A1KDM4ECREBBPLMNAGAA
SCHEMBL4555981 0.87 KIF11 (0.35) ALDH1A1KDM4ESMN1; SMN2LMNAGAA
SCHEMBL4866323 0.87 KIF11 (0.35) ALDH1A1KDM4ESMN1; SMN2LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 — — US claimed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 — — US claimed
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 — — US disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 — — US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 — — US disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 — — US disclosed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 — — 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 (3 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-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP ALDH1A1 1804/4885HSD11B1 267/4885KDM4E 4502/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP ALDH1A1 1804/4885HSD11B1 267/4885KDM4E 4502/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP ALDH1A1 1804/4885HSD11B1 267/4885KDM4E 4502/4885

“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.