SCHEMBL17734652

SCHEMBL17734652

Cc1cc(-c2ccc(N(c3ccc(F)cc3)c3ccccc3-c3ccccc3)c(C)c2)ccc1N(c1ccc(F)cc1)c1ccccc1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ PTGS2 P35354 4/20 0.35
▸ STAT1 P42224 1/20 0.34
▸ LTB4R2 Q9NPC1 1/20 0.34
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33
▸ TUBB3 Q13509 1/20 0.33
▸ TUBB2A Q13885 1/20 0.33
▸ TUBB8 Q3ZCM7 1/20 0.33
▸ TUBA3E Q6PEY2 1/20 0.33
▸ TUBA1A Q71U36 1/20 0.33
▸ TUBA1C Q9BQE3 1/20 0.33
▸ TUBB6 Q9BUF5 1/20 0.33
▸ TUBB2B Q9BVA1 1/20 0.33
▸ TUBB1 Q9H4B7 1/20 0.33

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
SCHEMBL17734517 0.91 ESR1 (0.39) ESR1TACR1PGRMAPT
SCHEMBL17734494 0.91 ESR1 (0.39) ESR1TACR1PGRMAPT
SCHEMBL17734832 0.91 ESR1 (0.39) ESR1TACR1PGRMAPT
SCHEMBL17734823 0.91 ESR1 (0.39) ESR1TACR1PGRMAPT
SCHEMBL17734492 0.90 ESR1 (0.40) ESR1CYP3A4PTGS2TACR1MAPT
SCHEMBL17734625 0.89 CYP3A4 (0.35) CYP3A4STAT1LTB4R2TOP1MAPT
SCHEMBL17734533 0.89 ESR1 (0.38) ESR1TACR1MAPT
SCHEMBL17734498 0.89 ESR1 (0.38) ESR1LTB4R2MAPT
SCHEMBL17734829 0.89 ESR1 (0.38) ESR1TACR1MAPT
SCHEMBL17734822 0.88 ESR1 (0.39) ESR1PTGS2TACR1PGRMAPT

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-20160133847-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-05-12 — — US disclosed
US-20160133847-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-05-12 — — 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-20160133847-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT ARL1, CCNL2, APOL1 ESR1 15/4885CYP3A4 1604/4885PTGS2 3535/4885

“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.

Send feedback