SCHEMBL17327720

SCHEMBL17327720

CC1(C)CCC(C)(C)c2cc(-c3ccc4ncc(C(=O)NO)cc4c3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 12/20 0.54
RARB P10826 12/20 0.54
RARG P13631 12/20 0.54
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
RXRA P19793 4/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CYP26A1 O43174 1/20 0.41
CYP26B1 Q9NR63 1/20 0.41
WNT1 P04628 1/20 0.40

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
SCHEMBL17316107 0.91 RARA (0.54) RARARARBRARGABCB1ABCC1
SCHEMBL18775433 0.88 RARA (0.51) RARARARBRARGRXRAWNT1
SCHEMBL12444486 0.83 RARA (0.73) RARARARBRARGRXRAHDAC6
SCHEMBL17327722 0.82 RARA (0.67) RARARARBRARGABCB1ABCC1
SCHEMBL17327721 0.79 RARA (0.53) RARARARBRARGABCB1ABCC1
SCHEMBL17316103 0.77 RARA (0.54) RARARARBRARGCYP26A1CYP26B1
SCHEMBL1352401 0.76 HDAC6 (0.49) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1352698 0.76 MAP4K4 (0.58) HDAC6HDAC3HDAC1HDAC2CLK2
SCHEMBL10246895 0.74 RARB (0.64) RARARARBRARGRXRAHDAC6
SCHEMBL1353255 0.72 HPGDS (0.63) HDAC6HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954194-B2 18-20 member bi-polycyclic compounds Haro Pharmaceuticals Inc. (US) 2021-03-23 US disclosed
US-10752591-B2 18-20 member bi-polycyclic compounds Haro Pharmaceuticals Inc. (US) 2020-08-25 US disclosed
US-10377715-B2 18-20 member bi-polycyclic compounds Haro Pharmaceuticals Inc. (US) 2019-08-13 US disclosed
US-20170114019-A1 18-20 MEMBER BI-POLYCYCLIC COMPOUNDS HARO PHARMACEUTICAL INC. 2017-04-27 US disclosed
WO-2015188015-A1 18-20 MEMBER BI-POLYCYCLIC COMPOUNDS HARO PHARMACEUTICAL INC. (US) 2015-12-10 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-10752591-B2 18-20 member bi-polycyclic compounds TNNI3, TNNC1, MYLK2 RARA 4139/4885RARB 3587/4885RARG 4129/4885
US-10377715-B2 18-20 member bi-polycyclic compounds CKMT1A; CKMT1B, MYLK2, CPT1B RARA 1809/4885RARB 1026/4885RARG 845/4885
US-10954194-B2 18-20 member bi-polycyclic compounds BRCA1, UGT2B17, TP53 RARA 1079/4885RARB 1128/4885RARG 862/4885
US-20170114019-A1 18-20 MEMBER BI-POLYCYCLIC COMPOUNDS CKMT1A; CKMT1B, MYLK2, CPT1B RARA 1809/4885RARB 1026/4885RARG 845/4885

“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.