SCHEMBL20045293

SCHEMBL20045293

Cc1cc(C2CCC(C)C2)c(C)s1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL12972960 0.75 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDMEN1MAPT
SCHEMBL12607739 0.71 ALDH1A1 (0.30) ALDH1A1HPGDSMN1; SMN2
SCHEMBL12607754 0.71 ALDH1A1 (0.30) ALDH1A1HPGDSMN1; SMN2
SCHEMBL14877786 0.71 ALDH1A1 (0.30) ALDH1A1HPGDSMN1; SMN2
SCHEMBL19101171 0.68 NPC1 (0.41) ALDH1A1HSD17B10HPGDMEN1MAPT
SCHEMBL17149564 0.68 NPC1 (0.41) ALDH1A1HSD17B10HPGDMEN1MAPT
SCHEMBL17151014 0.68 NPC1 (0.41) ALDH1A1HSD17B10HPGDMEN1MAPT
SCHEMBL17996705 0.66 MAPT (0.41) ALDH1A1HSD17B10HPGDMEN1MAPT
SCHEMBL12607740 0.66 GPR35 (0.33) ALDH1A1HSD17B10HPGDMEN1MAPT
SCHEMBL12607744 0.66 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3307742-B1 METHODS OF TREATING OR PREVENTING A PROTEOPATHY USHER III INITIATIVE INC (US) 2022-05-18 — — EP disclosed
WO-2022011091-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES USHER III INITIATIVE, INC. (US) 2022-01-13 — — WO disclosed
EP-2911671-B1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME USHER III INITIATIVE INC (US) 2018-06-27 — — EP disclosed
US-20180099974-A1 METHODS OF TREATING OR PREVENTING A PROTEOPATHY USHER III INITIATIVE, INC. 2018-04-12 — — 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-20180099974-A1 METHODS OF TREATING OR PREVENTING A PROTEOPATHY PSMG3, HSPA5, TTR ALDH1A1 4128/4885HSD17B10 2968/4885HPGD 3227/4885

“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.

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