SCHEMBL21704833

SCHEMBL21704833

CCCCCC1CCC(c2ccc(-c3ccc(OCCCCCCOc4cccc5c4c(-c4ccc(NC(=O)c6ccc(-c7ccc(C8CCC(CCCCC)CC8)cc7)cc6)cc4C)cc4c6c(c7c(c45)OC(c4ccc(OC)cc4)(c4ccc(OCCCC)cc4)C=C7)C(C)(C)c4cc(C(F)(F)F)ccc4-6)cc3)cc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
ALK Q9UM73 1/20 0.31
MGAT2 Q10469 3/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PPARD Q03181 2/20 0.30
SMO Q99835 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 0.96 RAF1 (0.30) RAF1BRAFALKMGAT2
SCHEMBL21704835 0.95 RAF1 (0.31) MCHR1RAF1BRAFALKTP53
SCHEMBL21704931 0.95 MCHR1 (0.32) MCHR1ALKMGAT2TP53
SCHEMBL29295058 0.95 RAF1 (0.31) MCHR1RAF1BRAFALK
SCHEMBL29295072 0.91 RAF1 (0.30) RAF1BRAFALK
SCHEMBL29295068 0.91 PLG (0.31) MCHR1ALKTP53
SCHEMBL21704836 0.91
SCHEMBL21681706 0.90 RAF1 (0.31) RAF1BRAFALK
SCHEMBL12581582 0.89 ALK (0.34) MCHR1RAF1BRAFALKMGAT2
SCHEMBL1963611 0.89 ALK (0.34) MCHR1RAF1BRAFALKMGAT2

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
EP-3621958-B1 PHOTOCHROMIC INDENO FUSED PHENANTHRENOPYRAN COMPOUNDS TRANSITIONS OPTICAL LTD (IE) 2024-07-10 EP disclosed
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 MCHR1 288/4885RAF1 4654/4885BRAF 4118/4885

“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.