SCHEMBL21704931

SCHEMBL21704931

CCCCCC1CCC(c2ccc(-c3ccc(OCCCCCCOc4cccc5c4c(-c4ccc(NC(=O)c6ccc(-c7ccc(C8CCC(CCCCC)CC8)cc7)cc6)cc4)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 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
TP53 P04637 1/20 0.31
ALK Q9UM73 1/20 0.31
MGAT2 Q10469 1/20 0.31
GCGR P47871 1/20 0.31
CCR2 P41597 1/20 0.30
KCNH2 Q12809 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
SCHEMBL21704833 0.95 MCHR1 (0.32) MCHR1TP53ALKMGAT2
SCHEMBL29295068 0.95 PLG (0.31) MCHR1PLGPLAUPLATTP53
SCHEMBL21681706 0.92 RAF1 (0.31) ALK
SCHEMBL21704834 0.92 RAF1 (0.30) ALKMGAT2
SCHEMBL21704835 0.91 RAF1 (0.31) MCHR1TP53ALK
SCHEMBL29295058 0.90 RAF1 (0.31) MCHR1ALK
SCHEMBL21704673 0.90
SCHEMBL21681680 0.89
SCHEMBL21704929 0.89
SCHEMBL21681698 0.89 PLG (0.36) MCHR1PLGPLAUPLATTP53

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 288/4885PLG 1576/4885PLAU 3868/4885

“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.