SCHEMBL18161998

SCHEMBL18161998

NCC1=C(c2ccccc2)c2ccccc2OC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
THRB P10828 1/20 0.40
DPP4 P27487 1/20 0.39
KMT2A Q03164 2/20 0.37
ESR1 P03372 6/20 0.36
ESR2 Q92731 6/20 0.36
MAOB P27338 2/20 0.36
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34

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
Hydrochloric Acid SCHEMBL18150270 0.98 THRB (0.39) ALDH1A1MAPTKDM4ELMNAGAA
Hydrochloric Acid SCHEMBL18154539 0.86 THRB (0.38) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL18154544 0.83 THRB (0.40) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL7232014 0.83 THRB (0.40) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL7224874 0.83 THRB (0.43) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL18150269 0.81 THRB (0.41) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL7225366 0.81 THRB (0.38) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL20807322 0.80 MTNR1A (0.39) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL7223146 0.80 AKR1B1 (0.43) ALDH1A1KDM4ELMNAGAATHRB
SCHEMBL7232217 0.75 ESR1 (0.44) ALDH1A1KDM4EGAAKMT2AESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283481-B1 CHROMENE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARM SPA (IT) 2019-03-13 EP disclosed
US-9968604-B2 Chromene derivatives as phoshoinositide 3-kinases inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2018-05-15 US disclosed
US-9968604-B2 Chromene derivatives as phoshoinositide 3-kinases inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2018-05-15 US disclosed
WO-2016166239-A1 CHROMENE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2016-10-20 WO disclosed
US-20160303123-A1 CHROMENE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2016-10-20 US disclosed
US-20160303123-A1 CHROMENE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2016-10-20 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-20160303123-A1 CHROMENE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS PIKFYVE, PI4KA, PIP4K2B ALDH1A1 4568/4885MAPT 4705/4885KDM4E 3065/4885

“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.