SCHEMBL19170716

SCHEMBL19170716

CCC(C)(CC)c1ccc2cc(C(C)(C)C)ccc2n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 7/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ KCNH2 Q12809 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ NR1I2 O75469 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SCD O00767 1/20 0.32
▸ METAP2 P50579 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 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
SCHEMBL2704185 0.84 KCNH2 (0.42) SCN10ABACE1KCNH2MEN1KMT2A
SCHEMBL21849174 0.79 BACE1 (0.50) SCN10ABACE1KCNH2MEN1KMT2A
SCHEMBL11961321 0.78 NPC1 (0.39) BACE1KCNH2MEN1KMT2AMAPT
SCHEMBL10222604 0.76 BACE1 (0.39) SCN10ABACE1KCNH2MEN1KMT2A
SCHEMBL13194994 0.75 CYP1A2 (0.45) BACE1MAPTHRH3ALDH1A1HPGD
SCHEMBL10182842 0.73 CYP1A2 (0.59) SCN10ABACE1KCNH2MEN1KMT2A
SCHEMBL12755251 0.72 ALDH1A1 (0.45) SCN10ABACE1KCNH2MEN1KMT2A
SCHEMBL12025091 0.72 BACE1 (0.44) SCN10ABACE1KCNH2MEN1KMT2A
SCHEMBL179520 0.72 BACE1 (0.68) SCN10ABACE1KCNH2
SCHEMBL12173608 0.71 KIF11 (0.44) BACE1KCNH2MEN1KMT2AMAPT

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-9950076-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2018-04-24 — — US disclosed
US-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2017-07-27 — — 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-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 SCN10A 4104/4885BACE1 2766/4885KCNH2 4777/4885

“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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