SCHEMBL20176627

SCHEMBL20176627

CC(C)(C)C(=O)c1ccc(C2(C)CC(C)(C)c3cc(C(=O)C(C)(C)O)ccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.36
RXRB P28702 8/20 0.35
RARB P10826 6/20 0.35
RARG P13631 5/20 0.35
RXRG P48443 4/20 0.35
RARA P10276 4/20 0.34
CYP26A1 O43174 5/20 0.34
CYP26B1 Q9NR63 4/20 0.34
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL15120396 0.96 RXRA (0.36) RXRARXRBRARBRARGRXRG
SCHEMBL29726395 0.96 RXRA (0.38) RXRARXRBRARBRARGRXRG
SCHEMBL476929 0.96 RXRA (0.38) RXRARXRBRARBRARGRXRG
SCHEMBL818606 0.93 RXRA (0.38) RXRARXRBRARBRARGRXRG
SCHEMBL18904618 0.91 RXRA (0.40) RXRARXRBRARBRARGRXRG
SCHEMBL13672540 0.89 RXRA (0.34) RXRARXRBRARBRARGRXRG
SCHEMBL14345101 0.89 RXRA (0.35) RXRARXRBRARBRARGRXRG
SCHEMBL21617582 0.86 KDM4E (0.35) RXRARXRBRARBRARGRXRG
SCHEMBL4008392 0.86 RXRA (0.34) RXRARXRBRARBRARGRXRG
SCHEMBL25373674 0.85 CYP26A1 (0.42) RXRARXRBRARBRARGRXRG

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-10017435-B2 Process for the preparation of a phenylindan compound IGH RESINS ITALIA S.R.L. 2018-07-10 US disclosed
US-20180141882-A1 PROCESS FOR THE PREPARATION OF A PHENYLINDAN COMPOUND IGM RESINS ITALIA S.R.L. (IT) 2018-05-24 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 (2 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-10017435-B2 Process for the preparation of a phenylindan compound CYP1A1, HPD, CYP1B1 RXRA 2540/4885RXRB 2983/4885RARB 3939/4885
US-20180141882-A1 PROCESS FOR THE PREPARATION OF A PHENYLINDAN COMPOUND CYP1A1, HPD, CYP1B1 RXRA 2540/4885RXRB 2983/4885RARB 3939/4885

“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.