SCHEMBL21704835

SCHEMBL21704835

CCCCCC(=O)Oc1cccc2c1c(-c1ccc(NC(=O)c3ccc(-c4ccc(C5CCC(CCCCC)CC5)cc4)cc3)cc1C)cc1c3c(c4c(c12)OC(c1ccc(OC)cc1)(c1ccc(OCCCC)cc1)C=C4)C(C)(C)c1cc(C(F)(F)F)ccc1-3

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.31
BRAF P15056 1/20 0.31
ALK Q9UM73 1/20 0.31
MCHR1 Q99705 1/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21704834 0.99 RAF1 (0.30) RAF1BRAFALK
SCHEMBL29295072 0.96 RAF1 (0.30) RAF1BRAFALK
SCHEMBL21704833 0.95 MCHR1 (0.32) RAF1BRAFALKMCHR1TP53
SCHEMBL21681706 0.95 RAF1 (0.31) RAF1BRAFALK
SCHEMBL29295058 0.94 RAF1 (0.31) RAF1BRAFALKMCHR1
SCHEMBL29295068 0.92 PLG (0.31) ALKMCHR1TP53
SCHEMBL21704836 0.92
SCHEMBL21704931 0.91 MCHR1 (0.32) ALKMCHR1TP53
SCHEMBL21681700 0.88
SCHEMBL21704678 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048216-A1 Photochromic Indeno Fused Phenanthrenopyran Compounds TRANSITIONS OPTICAL, LTD. (IE) 2020-02-13 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-20200048216-A1 Photochromic Indeno Fused Phenanthrenopyran Compounds ALDH1A2, RB1, INCENP RAF1 4654/4885BRAF 4118/4885ALK 1652/4885

“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.