SCHEMBL20163176

SCHEMBL20163176

c1ccc(Cc2ccc(Cc3ccccc3)o2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.58
CTRC Q99895 3/20 0.45
CTSL P07711 1/20 0.45
IDH1 O75874 1/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
LTA4H P09960 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL1680764 0.89 CYP2A6 (0.53) CALM1CTRCCTSLIDH1SMN1; SMN2
SCHEMBL27968343 0.89 TP53 (0.48) CALM1CTRCCTSLIDH1NPC1
SCHEMBL9338807 0.89 TDP1 (0.50) CALM1CTRCCTSLIDH1NPC1
Hydrochloric Acid SCHEMBL1169925 0.87 CYP2A6 (0.52) CALM1CTRCCTSLIDH1HPGD
SCHEMBL18294977 0.84 CALM1 (0.46) CALM1CTRCCTSLIDH1NPC1
SCHEMBL4155853 0.84 CTSL (0.46) CALM1CTSLIDH1NPC1HPGD
SCHEMBL3180066 0.84 CHRM2 (0.47) CALM1CTSLNPC1RAB9A
SCHEMBL10910046 0.84 CALM1 (0.46) CALM1CTRCCTSLIDH1NPC1
Water SCHEMBL9667780 0.82 CHRM2 (0.45) CALM1CTSLNPC1RAB9A
SCHEMBL7035982 0.82 EPHX2 (0.48) CALM1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180140525-A1 AGENT FOR STABILIZING KERATIN FIBERS WITH 5-RING HETEROCYCLES HENKEL AG & CO. KGAA (DE) 2018-05-24 US claimed
EP-4359382-A1 TWO-STEP SYNTHESIS OF PYRROLE COMPOUNDS FROM FURAN COMPOUNDS Chevron Phillips Chemical Company LP (US) 2024-05-01 EP disclosed
CN-117881658-A Two-step synthesis of pyrrole compounds from furan compounds 切弗朗菲利浦化学公司 2024-04-12 CN disclosed
US-11608317-B2 Two-step synthesis of pyrrole compounds from furan compounds CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2023-03-21 US disclosed
WO-2022197944-A1 TWO-STEP SYNTHESIS OF PYRROLE COMPOUNDS FROM FURAN COMPOUNDS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2022-09-22 WO disclosed
US-20220298109-A1 TWO-STEP SYNTHESIS OF PYRROLE COMPOUNDS FROM FURAN COMPOUNDS CHEVRON PHILLIPS CHEMICAL COMPANY LP 2022-09-22 US disclosed
US-10561594-B2 Agent for stabilizing keratin fibers with 5-ring heterocycles HENKEL AG & CO. KGAA (DE) 2020-02-18 US disclosed
US-10561594-B2 Agent for stabilizing keratin fibers with 5-ring heterocycles HENKEL AG & CO. KGAA (DE) 2020-02-18 US disclosed
US-20180140525-A1 AGENT FOR STABILIZING KERATIN FIBERS WITH 5-RING HETEROCYCLES HENKEL AG & CO. KGAA (DE) 2018-05-24 US disclosed
US-20180140525-A1 AGENT FOR STABILIZING KERATIN FIBERS WITH 5-RING HETEROCYCLES HENKEL AG & CO. KGAA (DE) 2018-05-24 US disclosed
US-20180140525-A1 AGENT FOR STABILIZING KERATIN FIBERS WITH 5-RING HETEROCYCLES HENKEL AG & CO. KGAA (DE) 2018-05-24 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 (4 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-11608317-B2 Two-step synthesis of pyrrole compounds from furan compounds DDC, DHPS, ACMSD CALM1 2695/4885CTRC 3353/4885CTSL 4342/4885
US-20180140525-A1 AGENT FOR STABILIZING KERATIN FIBERS WITH 5-RING HETEROCYCLES KRT18, NDUFS5, NDUFA5 CALM1 2016/4885CTRC 4836/4885CTSL 4759/4885
US-10561594-B2 Agent for stabilizing keratin fibers with 5-ring heterocycles KRT18, NDUFS5, NDUFA5 CALM1 2016/4885CTRC 4836/4885CTSL 4759/4885
US-20220298109-A1 TWO-STEP SYNTHESIS OF PYRROLE COMPOUNDS FROM FURAN COMPOUNDS DDC, DHPS, ACMSD CALM1 2695/4885CTRC 3353/4885CTSL 4342/4885

“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.